- InChI
- InChI=1S/C16H22O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3
- InChI Key
- GVUYTZKKCMNYGB-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
- CCCCCOC(=O)CCC(=O)OCc1ccccc1
- Molecular Weight1
- 278.34
- CAS
- 119450-13-4
- Other Names
-
- Pentyl 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° | -271.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -626.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.80 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 3.243 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback Calculated Property |
| Inp | 2045.00 | NIST | |
| Tboil | 744.74 | K | Joback Calculated Property |
| Tc | 945.71 | K | Joback Calculated Property |
| Tfus | 440.82 | K | Joback Calculated Property |
| Vc | 0.872 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [649.23; 726.20] | J/mol×K | [744.74; 945.71] | 
|
| Cp,gas | 649.23 | J/mol×K | 744.74 | Joback Calculated Property |
| Cp,gas | 664.46 | J/mol×K | 778.23 | Joback Calculated Property |
| Cp,gas | 678.71 | J/mol×K | 811.73 | Joback Calculated Property |
| Cp,gas | 691.99 | J/mol×K | 845.22 | Joback Calculated Property |
| Cp,gas | 704.32 | J/mol×K | 878.72 | Joback Calculated Property |
| Cp,gas | 715.72 | J/mol×K | 912.21 | Joback Calculated Property |
| Cp,gas | 726.20 | J/mol×K | 945.71 | Joback Calculated Property |
| η | [0.0000931; 0.0010214] | Pa×s | [440.82; 744.74] |
|
| η | 0.0010214 | Pa×s | 440.82 | Joback Calculated Property |
| η | 0.0005579 | Pa×s | 491.47 | Joback Calculated Property |
| η | 0.0003411 | Pa×s | 542.13 | Joback Calculated Property |
| η | 0.0002269 | Pa×s | 592.78 | Joback Calculated Property |
| η | 0.0001609 | Pa×s | 643.43 | Joback Calculated Property |
| η | 0.0001200 | Pa×s | 694.09 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 744.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, pentyl phenylmethyl ester.
Sources
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