- InChI
- InChI=1S/C13H16O4/c1-2-16-12(14)8-9-13(15)17-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
- InChI Key
- MGWTXNMQOXXVRU-UHFFFAOYSA-N
- Formula
- C13H16O4
- SMILES
- CCOC(=O)CCC(=O)OCc1ccccc1
- Molecular Weight1
- 236.26
- CAS
- 106478-00-6
- Other Names
-
- Ethyl 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° | -296.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.12 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 2.073 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2395.87 | kPa | Joback Calculated Property |
| Inp | 1740.00 | NIST | |
| Tboil | 676.10 | K | Joback Calculated Property |
| Tc | 883.94 | K | Joback Calculated Property |
| Tfus | 407.01 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.48; 559.82] | J/mol×K | [676.10; 883.94] | 
|
| Cp,gas | 488.48 | J/mol×K | 676.10 | Joback Calculated Property |
| Cp,gas | 502.54 | J/mol×K | 710.74 | Joback Calculated Property |
| Cp,gas | 515.71 | J/mol×K | 745.38 | Joback Calculated Property |
| Cp,gas | 528.02 | J/mol×K | 780.02 | Joback Calculated Property |
| Cp,gas | 539.47 | J/mol×K | 814.66 | Joback Calculated Property |
| Cp,gas | 550.07 | J/mol×K | 849.30 | Joback Calculated Property |
| Cp,gas | 559.82 | J/mol×K | 883.94 | Joback Calculated Property |
| η | [0.0001346; 0.0012811] | Pa×s | [407.01; 676.10] |
|
| η | 0.0012811 | Pa×s | 407.01 | Joback Calculated Property |
| η | 0.0007303 | Pa×s | 451.86 | Joback Calculated Property |
| η | 0.0004608 | Pa×s | 496.71 | Joback Calculated Property |
| η | 0.0003138 | Pa×s | 541.56 | Joback Calculated Property |
| η | 0.0002266 | Pa×s | 586.40 | Joback Calculated Property |
| η | 0.0001714 | Pa×s | 631.25 | Joback Calculated Property |
| η | 0.0001346 | Pa×s | 676.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, ethyl phenylmethyl ester.
Sources
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