ChemSpider 2D Image | Ethyl 2-methoxybenzoate | C10H12O3

Ethyl 2-methoxybenzoate

  • Molecular FormulaC10H12O3
  • Average mass180.201 Da
  • Monoisotopic mass180.078644 Da
  • ChemSpider ID21172673

More details:

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

230-843-1 [EINECS]
2-Méthoxybenzoate d'éthyle [French] [ACD/IUPAC Name]
7335-26-4 [RN]
Benzoic acid, 2-methoxy-, ethyl ester [ACD/Index Name]
Ethyl 2-methoxybenzoate [ACD/IUPAC Name]
Ethyl-2-methoxybenzoat [German] [ACD/IUPAC Name]
MFCD00015148 [MDL number]
[7335-26-4] [RN]
2-Ethylanisate
2-methoxy-benzoic acid ethyl ester
More...

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

1OB313918P [DBID]
UNII:1OB313918P [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A11287
  • Gas Chromatography

    • Retention Index (Kovats):

      1349 (estimated with error: 89) NIST Spectra mainlib_292296, replib_39028, replib_374357

    • Retention Index (Linear):

      1435 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Start T: 60 C; End T: 270 C; CAS no: 7335264; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Todua, N.G., Retention Data. NIST Mass Spectrometry Data Center., 2011.) NIST Spectra nist ri
      1412.1 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: .19 mm; Column length: 30 m; Column type: Capillary; Description: 50 C to 120 C at 5 C/min; 120 C to 290 C at 12 C/min; CAS no: 7335264; Active phase: 5 % Phenyl methyl siloxane; Data type: Linear RI; Authors: Zaikin, V.G., Personal Communication: Retention indices measured during the period 2001 to 2003, 2003.) 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: 258.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.6±3.0 kJ/mol
Flash Point: 102.1±14.4 °C
Index of Refraction: 1.500
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.76
ACD/KOC (pH 5.5): 553.93
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.76
ACD/KOC (pH 7.4): 553.93
Polar Surface Area: 36 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 167.8±3.0 cm3

Click to predict properties on the Chemicalize site


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