ChemSpider 2D Image | Propyl 2-aminobenzoate | C10H13NO2

Propyl 2-aminobenzoate

  • Molecular FormulaC10H13NO2
  • Average mass179.216 Da
  • Monoisotopic mass179.094635 Da
  • ChemSpider ID21168314

More details:






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

275-926-3 [EINECS]
2-Aminobenzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-amino-, propyl ester [ACD/Index Name]
Propyl 2-aminobenzoate [ACD/IUPAC Name]
Propyl-2-aminobenzoat [German] [ACD/IUPAC Name]
30954-98-4 [RN]
71735-15-4 [RN]
BENZOIC ACID 2-AMINO- PROPYL ESTER
Benzoic acid, amino-, propyl ester
propyl aminobenzoate
More...
  • Gas Chromatography
    • Retention Index (Kovats):

      1571 (estimated with error: 89) NIST Spectra mainlib_374532
    • Retention Index (Normal Alkane):

      1513.7 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 65 C; End T: 280 C; End time: 30 min; Start time: 10 min; CAS no: 30954984; Active phase: CP Sil 5 CB; Carrier gas: He; Phase thickness: 0.4 um; Data type: Normal alkane RI; Authors: Joulain, D.; Casazza, A.; Laurent, R.; Portier, D.; Guillamon, N.; Pandya, R.; Le, M.; Viljoen, A., Volatile flavor constituents of fruits from Southern Africa: mobola plum (Parinari curatellifolia), J. Agric. Food Chem., 52, 2004, 2322-2325.) NIST Spectra nist ri
      1500 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 30954984; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      2320 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 30954984; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 270.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 140.0±17.4 °C
Index of Refraction: 1.546
Molar Refractivity: 51.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.94
ACD/KOC (pH 5.5): 720.35
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.97
ACD/KOC (pH 7.4): 720.66
Polar Surface Area: 52 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 162.6±3.0 cm3

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