- InChI
- InChI=1S/C14H18O4/c1-2-10-17-13(15)8-9-14(16)18-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
- InChI Key
- LQITZYVBKYLNJM-UHFFFAOYSA-N
- Formula
- C14H18O4
- SMILES
- CCCOC(=O)CCC(=O)OCc1ccccc1
- Molecular Weight1
- 250.29
- CAS
- 119450-12-3
- Other Names
-
- Propyl 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° | -288.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -585.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.35 | kJ/mol | Joback Calculated Property |
| log10WS | -3.01 | Crippen Calculated Property | |
| logPoct/wat | 2.463 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2185.64 | kPa | Joback Calculated Property |
| Inp | [1842.00; 1842.00] |
|
|
| Inp | 1842.00 | NIST | |
| Inp | 1842.00 | NIST | |
| Tboil | 698.98 | K | Joback Calculated Property |
| Tc | 904.10 | K | Joback Calculated Property |
| Tfus | 418.28 | K | Joback Calculated Property |
| Vc | 0.759 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.84; 614.42] | J/mol×K | [698.98; 904.10] |
|
| Cp,gas | 540.84 | J/mol×K | 698.98 | Joback Calculated Property |
| Cp,gas | 555.36 | J/mol×K | 733.17 | Joback Calculated Property |
| Cp,gas | 568.96 | J/mol×K | 767.35 | Joback Calculated Property |
| Cp,gas | 581.65 | J/mol×K | 801.54 | Joback Calculated Property |
| Cp,gas | 593.45 | J/mol×K | 835.72 | Joback Calculated Property |
| Cp,gas | 604.37 | J/mol×K | 869.91 | Joback Calculated Property |
| Cp,gas | 614.42 | J/mol×K | 904.10 | Joback Calculated Property |
| η | [0.0001196; 0.0011960] | Pa×s | [418.28; 698.98] |
|
| η | 0.0011960 | Pa×s | 418.28 | Joback Calculated Property |
| η | 0.0006717 | Pa×s | 465.06 | Joback Calculated Property |
| η | 0.0004192 | Pa×s | 511.85 | Joback Calculated Property |
| η | 0.0002831 | Pa×s | 558.63 | Joback Calculated Property |
| η | 0.0002032 | Pa×s | 605.41 | Joback Calculated Property |
| η | 0.0001529 | Pa×s | 652.20 | Joback Calculated Property |
| η | 0.0001196 | Pa×s | 698.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, phenylmethyl propyl ester.
Sources
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