- InChI
- InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-24-28-26(27)23-18-17-22-25-20-15-14-16-21-25/h14-16,20-21H,2-13,17-19,22-24H2,1H3
- InChI Key
- XDIUOTCIPHNLOB-UHFFFAOYSA-N
- Formula
- C26H44O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCc1ccc
cc1 - Molecular Weight1
- 388.63
- 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° | 46.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -588.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.90 | kJ/mol | Joback Calculated Property |
| log10WS | -8.67 | Crippen Calculated Property | |
| logPoct/wat | 8.034 | Crippen Calculated Property | |
| McVol | 360.880 | ml/mol | McGowan Calculated Property |
| Pc | 898.02 | kPa | Joback Calculated Property |
| Inp | [2919.00; 2919.00] |
|
|
| Inp | 2919.00 | NIST | |
| Inp | 2919.00 | NIST | |
| Tboil | 897.25 | K | Joback Calculated Property |
| Tc | 1098.93 | K | Joback Calculated Property |
| Tfus | 481.36 | K | Joback Calculated Property |
| Vc | 1.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1192.71; 1294.30] | J/mol×K | [897.25; 1098.93] |
|
| Cp,gas | 1192.71 | J/mol×K | 897.25 | Joback Calculated Property |
| Cp,gas | 1212.65 | J/mol×K | 930.86 | Joback Calculated Property |
| Cp,gas | 1231.30 | J/mol×K | 964.48 | Joback Calculated Property |
| Cp,gas | 1248.73 | J/mol×K | 998.09 | Joback Calculated Property |
| Cp,gas | 1265.00 | J/mol×K | 1031.70 | Joback Calculated Property |
| Cp,gas | 1280.17 | J/mol×K | 1065.31 | Joback Calculated Property |
| Cp,gas | 1294.30 | J/mol×K | 1098.93 | Joback Calculated Property |
| η | [0.0000319; 0.0006695] | Pa×s | [481.36; 897.25] |
|
| η | 0.0006695 | Pa×s | 481.36 | Joback Calculated Property |
| η | 0.0002930 | Pa×s | 550.67 | Joback Calculated Property |
| η | 0.0001542 | Pa×s | 619.99 | Joback Calculated Property |
| η | 0.0000924 | Pa×s | 689.30 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 758.62 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 827.93 | Joback Calculated Property |
| η | 0.0000319 | Pa×s | 897.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, pentadecyl ester.
Sources
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