- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6763 | Relay (1.0) Calculated Property | |
| ΔfG° | -449.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.073 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2214.53 | kPa | Joback Calculated Property |
| Inp | 1740.00 | NIST | |
| Tboil | 572.37 | K | Relay (1.0) Calculated Property |
| Tc | 765.95 | K | Relay (1.0) Calculated Property |
| Tfus | 273.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.42; 553.11] | J/mol×K | [640.16; 843.89] | 
|
| Cp,gas | 479.42 | J/mol×K | 640.16 | Joback Calculated Property |
| Cp,gas | 494.05 | J/mol×K | 674.12 | Joback Calculated Property |
| Cp,gas | 507.72 | J/mol×K | 708.07 | Joback Calculated Property |
| Cp,gas | 520.45 | J/mol×K | 742.03 | Joback Calculated Property |
| Cp,gas | 532.25 | J/mol×K | 775.98 | Joback Calculated Property |
| Cp,gas | 543.13 | J/mol×K | 809.94 | Joback Calculated Property |
| Cp,gas | 553.11 | J/mol×K | 843.89 | Joback Calculated Property |
| η | [0.0001100; 0.0024198] | Pa×s | [347.35; 640.16] |
|
| η | 0.0024198 | Pa×s | 347.35 | Joback Calculated Property |
| η | 0.0010525 | Pa×s | 396.15 | Joback Calculated Property |
| η | 0.0005495 | Pa×s | 444.95 | Joback Calculated Property |
| η | 0.0003262 | Pa×s | 493.75 | Joback Calculated Property |
| η | 0.0002127 | Pa×s | 542.56 | Joback Calculated Property |
| η | 0.0001489 | Pa×s | 591.36 | Joback Calculated Property |
| η | 0.0001100 | Pa×s | 640.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, ethyl phenylmethyl ester.
Sources
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