ChemSpider 2D Image | 4-Benzylphenol | C13H12O

4-Benzylphenol

  • Molecular FormulaC13H12O
  • Average mass184.234 Da
  • Monoisotopic mass184.088821 Da
  • ChemSpider ID21159439

More details:

Featured data source
The Merck Index Online

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

101-53-1 [RN]
202-950-3 [EINECS]
4-Benzylphenol [ACD/IUPAC Name]
4-Benzylphenol [German] [ACD/IUPAC Name]
4-Benzylphénol [French] [ACD/IUPAC Name]
Phenol, 4-(phenylmethyl)- [ACD/Index Name]
QR D1R [WLN]
[101-53-1] [RN]
1-Hydroxy-4-(phenylmethyl)benzene
4-(Benzyl)phenol [ACD/IUPAC Name]
More...

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

1449572 [Beilstein] [DBID]
CS02509J25 [DBID]
AE-641/00672030 [DBID]
AI3-01932 [DBID]
AI3-1932 [DBID]
BRN 1449572 [DBID]
H25808_ALDRICH [DBID]
MFCD00002384 [DBID] [MDL number]
NSC 8078 [DBID]
NSC8078 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous

    • Safety:

      26-37 Alfa Aesar B22538
      36/37/38 Alfa Aesar B22538
      H315-H319-H335 Alfa Aesar B22538
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar B22538
      Warning Alfa Aesar B22538
      WARNING: Irritates lungs, eyes, skin Alfa Aesar B22538
  • Gas Chromatography

    • Retention Index (Kovats):

      1687 (estimated with error: 70) NIST Spectra mainlib_232691, replib_113339, replib_7755

    • Retention Index (Lee):

      295.4 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.30 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 200 C; End time: 15 min; Start time: 5 min; CAS no: 101531; Active phase: HP-5; Carrier gas: Helium; Salt/Mix CASNO: 7563-63-5; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Wang, G.; Hou, Z.; Sun, Y.; Liu, Y.; Xie, B.; Liu, S., Investigation of pyrolysis behavior of fenoxycarb using PY-GC-MS assisted with chemometric methods, Chem. Anal., 52, 2007, 141-156.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 321.9±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 154.2±11.1 °C
Index of Refraction: 1.603
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 223.97
ACD/KOC (pH 5.5): 1674.44
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 223.64
ACD/KOC (pH 7.4): 1672.01
Polar Surface Area: 20 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 167.3±3.0 cm3

Click to predict properties on the Chemicalize site


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