- InChI
- InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-28-25(27)21-20-24(26)23-18-15-14-16-19-23/h14-16,18-19H,2-13,17,20-22H2,1H3
- InChI Key
- RXWGJIYFTATTRN-UHFFFAOYSA-N
- Formula
- C25H40O3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCC(=O)c1
ccccc1 - Molecular Weight1
- 388.58
- 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° | -90.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -680.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.42 | kJ/mol | Joback Calculated Property |
| log10WS | -8.11 | Crippen Calculated Property | |
| logPoct/wat | 7.284 | Crippen Calculated Property | |
| McVol | 348.360 | ml/mol | McGowan Calculated Property |
| Pc | 990.13 | kPa | Joback Calculated Property |
| Inp | [3025.00; 3025.00] |
|
|
| Inp | 3025.00 | NIST | |
| Inp | 3025.00 | NIST | |
| Tboil | 928.24 | K | Joback Calculated Property |
| Tc | 1136.87 | K | Joback Calculated Property |
| Tfus | 520.02 | K | Joback Calculated Property |
| Vc | 1.357 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1151.47; 1241.21] | J/mol×K | [928.24; 1136.87] |
|
| Cp,gas | 1151.47 | J/mol×K | 928.24 | Joback Calculated Property |
| Cp,gas | 1169.42 | J/mol×K | 963.01 | Joback Calculated Property |
| Cp,gas | 1186.10 | J/mol×K | 997.78 | Joback Calculated Property |
| Cp,gas | 1201.55 | J/mol×K | 1032.56 | Joback Calculated Property |
| Cp,gas | 1215.85 | J/mol×K | 1067.33 | Joback Calculated Property |
| Cp,gas | 1229.05 | J/mol×K | 1102.10 | Joback Calculated Property |
| Cp,gas | 1241.21 | J/mol×K | 1136.87 | Joback Calculated Property |
| η | [0.0000351; 0.0005775] | Pa×s | [520.02; 928.24] |
|
| η | 0.0005775 | Pa×s | 520.02 | Joback Calculated Property |
| η | 0.0002764 | Pa×s | 588.06 | Joback Calculated Property |
| η | 0.0001541 | Pa×s | 656.09 | Joback Calculated Property |
| η | 0.0000959 | Pa×s | 724.13 | Joback Calculated Property |
| η | 0.0000647 | Pa×s | 792.17 | Joback Calculated Property |
| η | 0.0000465 | Pa×s | 860.20 | Joback Calculated Property |
| η | 0.0000351 | Pa×s | 928.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-4-phenylbutyric acid, pentadecyl ester.
Sources
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