ChemSpider 2D Image | 3-Chlorobenzaldehyde | C7H5ClO

3-Chlorobenzaldehyde

  • Molecular FormulaC7H5ClO
  • Average mass140.567 Da
  • Monoisotopic mass140.002899 Da
  • ChemSpider ID21111819

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

209-596-9 [EINECS]
3-Chlorbenzaldehyd [German] [ACD/IUPAC Name]
3-Chlorobenzaldehyde [ACD/IUPAC Name]
3-Chlorobenzaldéhyde [French] [ACD/IUPAC Name]
587-04-2 [RN]
Benzaldehyde, 3-chloro- [ACD/Index Name]
VHR CG [WLN]
[587-04-2] [RN]
11477 [PubChem CID]
Benzaldehyde, m-chloro- [ACD/Index Name]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

507098 [Beilstein] [DBID]
23480_FLUKA [DBID]
C23403_ALDRICH [DBID]
CCRIS 4693 [DBID]
MFCD00003350 [DBID] [MDL number]
PubChem Substance ID 24891849 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      1162 (estimated with error: 89) NIST Spectra mainlib_228290, replib_3748, replib_155036
      1108.4 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 140 C; CAS no: 587042; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Righezza, M.; Hassani, A.; Meklati, B.Y.; Chretien, J.R., Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatography, J. Chromatogr. A, 723, 1996, 77-91.) NIST Spectra nist ri
      1118.9 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 160 C; CAS no: 587042; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Hassani, A.; Meklati, B.Y., Gas chromatographic behaviour of monosubstituted benzenes, benzaldehydes and acetophenones on OV polymethylphenyl-silicone stationary phases, Chromatographia, 33(5/6), 1992, 267-271.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1102 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 587042; Active phase: OV-101; Data type: Normal alkane RI; Authors: Ebrahimi, P.; Hadjmohammadi, M.R., Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN, QSAR Comb. Sci., , 2006, 836-845.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 213.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 85.4±11.0 °C
Index of Refraction: 1.585
Molar Refractivity: 37.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.82
ACD/KOC (pH 5.5): 376.26
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.82
ACD/KOC (pH 7.4): 376.26
Polar Surface Area: 17 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 113.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement