- 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
- CAS
- 25333-24-8
- Other Names
-
- Propionic acid, 3-benzoyl-, methyl ester
- Methyl 3-benzoylpropionate
- Methyl 3-benzoylpropanoate
- Propionic acid, beta-benzoyl-, methyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -208.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -391.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 1.822 | Crippen Calculated Property | |
| McVol | 151.100 | ml/mol | McGowan Calculated Property |
| Pc | 2973.04 | kPa | Joback Calculated Property |
| Tboil | 607.92 | K | Joback Calculated Property |
| Tc | 824.86 | K | Joback Calculated Property |
| Tfus | 362.24 | K | Joback Calculated Property |
| Vc | 0.574 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.58; 430.30] | J/mol×K | [607.92; 824.86] | 
|
| Cp,gas | 363.58 | J/mol×K | 607.92 | Joback Calculated Property |
| Cp,gas | 376.71 | J/mol×K | 644.08 | Joback Calculated Property |
| Cp,gas | 389.01 | J/mol×K | 680.23 | Joback Calculated Property |
| Cp,gas | 400.49 | J/mol×K | 716.39 | Joback Calculated Property |
| Cp,gas | 411.19 | J/mol×K | 752.55 | Joback Calculated Property |
| Cp,gas | 421.12 | J/mol×K | 788.70 | Joback Calculated Property |
| Cp,gas | 430.30 | J/mol×K | 824.86 | Joback Calculated Property |
| η | [0.0002109; 0.0019508] | Pa×s | [362.24; 607.92] |
|
| η | 0.0019508 | Pa×s | 362.24 | Joback Calculated Property |
| η | 0.0011154 | Pa×s | 403.19 | Joback Calculated Property |
| η | 0.0007070 | Pa×s | 444.13 | Joback Calculated Property |
| η | 0.0004839 | Pa×s | 485.08 | Joback Calculated Property |
| η | 0.0003514 | Pa×s | 526.03 | Joback Calculated Property |
| η | 0.0002673 | Pa×s | 566.97 | Joback Calculated Property |
| η | 0.0002109 | Pa×s | 607.92 | 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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