- 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
- 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 | 1.1162 | Relay (1.0) Calculated Property | |
| ΔfG° | -29.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.034 | Crippen Calculated Property | |
| McVol | 360.880 | ml/mol | McGowan Calculated Property |
| Pc | 876.36 | kPa | Joback Calculated Property |
| Inp | [2919.00; 2919.00] |
|
|
| Inp | 2919.00 | NIST | |
| Inp | 2919.00 | NIST | |
| Tboil | 668.68 | K | Relay (1.0) Calculated Property |
| Tc | 862.89 | K | Relay (1.0) Calculated Property |
| Tfus | 291.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.380 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1183.57; 1284.83] | J/mol×K | [879.38; 1077.42] |
|
| Cp,gas | 1183.57 | J/mol×K | 879.38 | Joback Calculated Property |
| Cp,gas | 1203.51 | J/mol×K | 912.39 | Joback Calculated Property |
| Cp,gas | 1222.15 | J/mol×K | 945.39 | Joback Calculated Property |
| Cp,gas | 1239.54 | J/mol×K | 978.40 | Joback Calculated Property |
| Cp,gas | 1255.75 | J/mol×K | 1011.41 | Joback Calculated Property |
| Cp,gas | 1270.82 | J/mol×K | 1044.41 | Joback Calculated Property |
| Cp,gas | 1284.83 | J/mol×K | 1077.42 | Joback Calculated Property |
| η | [0.0000279; 0.0008607] | Pa×s | [451.53; 879.38] |
|
| η | 0.0008607 | Pa×s | 451.53 | Joback Calculated Property |
| η | 0.0003292 | Pa×s | 522.84 | Joback Calculated Property |
| η | 0.0001586 | Pa×s | 594.15 | Joback Calculated Property |
| η | 0.0000893 | Pa×s | 665.45 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 736.76 | Joback Calculated Property |
| η | 0.0000384 | Pa×s | 808.07 | Joback Calculated Property |
| η | 0.0000279 | Pa×s | 879.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, pentadecyl ester.
Sources
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