- InChI
- InChI=1S/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
- InChI Key
- XVRCVKWYKYJEIG-UHFFFAOYSA-N
- Formula
- C11H12O3
- SMILES
- COC(=O)CCC(=O)c1ccccc1
- Molecular Weight1
- 192.21
- Other Names
-
- Propionic acid, 3-benzoyl-, methyl ester
- Methyl 3-benzoylpropionate
- Methyl 3-benzoylpropanoate
- Propionic acid, beta-benzoyl-, methyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5614 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.822 | Crippen Calculated Property | |
| McVol | 151.100 | ml/mol | McGowan Calculated Property |
| Pc | 2844.44 | kPa | Joback Calculated Property |
| Tboil | 551.99 | K | Relay (1.0) Calculated Property |
| Tc | 755.49 | K | Relay (1.0) Calculated Property |
| Tfus | 311.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.555 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.97; 427.92] | J/mol×K | [590.05; 804.79] | 
|
| Cp,gas | 359.97 | J/mol×K | 590.05 | Joback Calculated Property |
| Cp,gas | 373.43 | J/mol×K | 625.84 | Joback Calculated Property |
| Cp,gas | 386.00 | J/mol×K | 661.63 | Joback Calculated Property |
| Cp,gas | 397.72 | J/mol×K | 697.42 | Joback Calculated Property |
| Cp,gas | 408.59 | J/mol×K | 733.21 | Joback Calculated Property |
| Cp,gas | 418.66 | J/mol×K | 769.00 | Joback Calculated Property |
| Cp,gas | 427.92 | J/mol×K | 804.79 | Joback Calculated Property |
| η | [0.0001919; 0.0027095] | Pa×s | [332.41; 590.05] |
|
| η | 0.0027095 | Pa×s | 332.41 | Joback Calculated Property |
| η | 0.0013540 | Pa×s | 375.35 | Joback Calculated Property |
| η | 0.0007803 | Pa×s | 418.29 | Joback Calculated Property |
| η | 0.0004982 | Pa×s | 461.23 | Joback Calculated Property |
| η | 0.0003434 | Pa×s | 504.17 | Joback Calculated Property |
| η | 0.0002509 | Pa×s | 547.11 | Joback Calculated Property |
| η | 0.0001919 | Pa×s | 590.05 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 456.00 ± 2.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to BENZENEBUTANOIC ACID, .GAMMA.-OXO-, METHYL ESTER.
Sources
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