- InChI
- InChI=1S/C12H14O4/c1-15-11(13)7-8-12(14)16-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
- InChI Key
- MUXGHJRHNFYSBX-UHFFFAOYSA-N
- Formula
- C12H14O4
- SMILES
- COC(=O)CCC(=O)OCc1ccccc1
- Molecular Weight1
- 222.24
- CAS
- 119450-11-2
- Other Names
-
- Methyl benzyl succinate
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (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° | -305.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.89 | kJ/mol | Joback Calculated Property |
| log10WS | -2.17 | Crippen Calculated Property | |
| logPoct/wat | 1.683 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 2637.96 | kPa | Joback Calculated Property |
| Inp | 1636.00 | NIST | |
| Tboil | 653.22 | K | Joback Calculated Property |
| Tc | 864.17 | K | Joback Calculated Property |
| Tfus | 395.74 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.45; 506.11] | J/mol×K | [653.22; 864.17] | 
|
| Cp,gas | 437.45 | J/mol×K | 653.22 | Joback Calculated Property |
| Cp,gas | 450.97 | J/mol×K | 688.38 | Joback Calculated Property |
| Cp,gas | 463.65 | J/mol×K | 723.54 | Joback Calculated Property |
| Cp,gas | 475.50 | J/mol×K | 758.69 | Joback Calculated Property |
| Cp,gas | 486.52 | J/mol×K | 793.85 | Joback Calculated Property |
| Cp,gas | 496.72 | J/mol×K | 829.01 | Joback Calculated Property |
| Cp,gas | 506.11 | J/mol×K | 864.17 | Joback Calculated Property |
| η | [0.0001507; 0.0013619] | Pa×s | [395.74; 653.22] |
|
| η | 0.0013619 | Pa×s | 395.74 | Joback Calculated Property |
| η | 0.0007885 | Pa×s | 438.65 | Joback Calculated Property |
| η | 0.0005033 | Pa×s | 481.57 | Joback Calculated Property |
| η | 0.0003457 | Pa×s | 524.48 | Joback Calculated Property |
| η | 0.0002514 | Pa×s | 567.39 | Joback Calculated Property |
| η | 0.0001911 | Pa×s | 610.31 | Joback Calculated Property |
| η | 0.0001507 | Pa×s | 653.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, methyl phenylmethyl ester.
Sources
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