Found 4 results

Search term: SWGQITQOBPXVRC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Ethoxybenzoic acid | C8H7BrO2

2-Ethoxybenzoic acid

  • Molecular FormulaC8H7BrO2
  • Average mass215.044 Da
  • Monoisotopic mass213.962936 Da
  • ChemSpider ID21112472

More details:

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

210-241-5 [EINECS]
2-Bromobenzoate de méthyle [French] [ACD/IUPAC Name]
2-Ethoxybenzoic acid [ACD/IUPAC Name]
610-94-6 [RN]
Benzoic acid, 2-bromo-, methyl ester [ACD/Index Name]
Methyl 2-bromobenzoate [ACD/IUPAC Name]
methyl o-bromobenzoate
Methyl-2-brombenzoat [German] [ACD/IUPAC Name]
[610-94-6] [RN]
165111-46-6 [RN]
More...

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

MFCD00016328 [DBID]
387851_ALDRICH [DBID]
CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A12435
  • Gas Chromatography

    • Retention Index (Kovats):

      1380 (estimated with error: 89) NIST Spectra mainlib_340610

    • Retention Index (Linear):

      1334 (Program type: Complex; Column... (show more) class: Standard non-polar; Column length: 3.05 m; Column type: Packed; Description: 40C(5min)=>10C/min =>200C or 250C (60min); CAS no: 610946; Active phase: SE-30; Substrate: Supelcoport; Chromosorb; Data type: Linear RI; Authors: Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 436, 1988, 137-172., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 3.05 m; Column type: Packed; Heat rate: 10 K/min; Start T: 40 C; End T: 250 C; End time: 60 min; Start time: 4 min; CAS no: 610946; Active phase: SE-30; Carrier gas: He; Substrate: Supelcoport and Chromosorb; Data type: Linear RI; Authors: Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 436, 1988, 137-172.) NIST Spectra nist ri

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

Density: 1.5±0.1 g/cm3
Boiling Point: 241.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 99.6±19.8 °C
Index of Refraction: 1.550
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.34
ACD/KOC (pH 5.5): 745.66
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.34
ACD/KOC (pH 7.4): 745.66
Polar Surface Area: 26 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 143.5±3.0 cm3

Click to predict properties on the Chemicalize site


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