Chemical Properties of Benzoic acid, ethyl ester (CAS 93-89-0)

Benzoic acid, ethyl ester

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InChI
InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key
MTZQAGJQAFMTAQ-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
CCOC(=O)c1ccccc1
Molecular Weight1
150.17
CAS
93-89-0
Other Names
  • 2-methoxy-1-phenyl-ethanone
  • Benzoic ether
  • Essence of niobe
  • Ethyl benzenecarboxylate
  • Ethyl benzoate
  • Ethylester kyseliny benzoove
Sources

Physical Properties

Property Value Unit Source
Δf -96.61 kJ/mol Joback Calculated Property
Δfgas -237.36 kJ/mol Joback Calculated Property
Δfus 15.89 kJ/mol Joback Calculated Property
Δvap 61.10 ± 0.30 kJ/mol NIST
IE 8.90 eV NIST
IE 9.20 eV NIST
logPoct/wat 1.86 Crippen Calculated Property
Pc 3439.94 kPa Joback Calculated Property
Tboil [360.20; 486.20] K Show Hide
Tboil Outlier 360.20 K NIST
Tboil Outlier 360.30 K NIST
Tboil 486.20 K NIST
Tboil 486.00 K NIST
Tboil 485.65 ± 0.40 K NIST
Tboil 485.60 ± 0.30 K NIST
Tboil 485.60 ± 0.50 K NIST
Tboil 485.60 ± 0.50 K NIST
Tboil 484.00 ± 4.00 K NIST
Tboil 482.30 ± 0.60 K NIST
Tboil 486.05 ± 0.40 K NIST
Tboil 484.95 ± 1.00 K NIST
Tc 724.46 K Joback Calculated Property
Tfus [238.40; 240.90] K Show Hide
Tfus 239.00 K NIST
Tfus 238.40 ± 0.30 K NIST
Tfus 238.45 ± 0.30 K NIST
Tfus 238.60 ± 0.40 K NIST
Tfus Outlier 240.90 ± 0.40 K NIST
Tfus 238.95 ± 0.40 K NIST
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 256.39 J/mol×K 508.29 Joback Calculated Property
Cp,liquid [241.80; 282.80] J/mol×K [290.00; 298.15] Show Hide
Cp,liquid 282.80 J/mol×K 290.0 NIST
Cp,liquid 241.80 J/mol×K 292.7 NIST
Cp,liquid 241.80 J/mol×K 292.7 NIST
Cp,liquid 246.00 J/mol×K 298.15 NIST
η 0.00 Pa×s 508.29 Joback Calculated Property
ΔvapH [43.60; 57.00] kJ/mol [310.50; 450.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 55.90 kJ/mol 310.5 NIST
ΔvapH 57.00 kJ/mol 392.0 NIST
ΔvapH 50.50 kJ/mol 392.0 NIST
ΔvapH 51.90 kJ/mol 401.5 NIST
ΔvapH 50.40 kJ/mol 422.5 NIST
ΔvapH 52.50 ± 0.20 kJ/mol 450.0 NIST
ΔvapH 49.60 ± 0.20 kJ/mol 450.0 NIST
ΔvapH 46.70 ± 0.30 kJ/mol 450.0 NIST
ΔvapH 43.60 ± 0.50 kJ/mol 450.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 1
-CH3 1

Similar Compounds

1,2-Ethanediol, monobenzoate. Benzoic acid, 1-methylethyl ester. Benzoic acid, 2-propenyl ester. ETHYL 4-METHYLBENZOATE. Benzoic acid 2-bromoethyl ester. n-Propyl benzoate. 2-Propyn-1-ol, benzoate. 2-Chloroethyl benzoate. Diethyl p-phthalate. (E)-2-Butenyl benzoate. Benzoic acid, methyl ester. Polyethylene-glycol (200) dibenzoate. Benzoic acid 1,1-dimethylethyl ester. Benzoic acid, 3-hydroxypropyl ester. Benzoic acid, 2-methylpropyl ester.

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