- InChI
- InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-16-21-25-23(24)20-15-14-19-22-17-12-11-13-18-22/h11-13,17-18H,2-10,14-16,19-21H2,1H3
- InChI Key
- NRHRKMCJNMJMMM-UHFFFAOYSA-N
- Formula
- C23H38O2
- SMILES
- CCCCCCCCCCCCOC(=O)CCCCc1ccccc1
- Molecular Weight1
- 346.55
- 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 | 1.0106 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.864 | Crippen Calculated Property | |
| McVol | 318.610 | ml/mol | McGowan Calculated Property |
| Pc | 1047.33 | kPa | Joback Calculated Property |
| Inp | [2614.00; 2614.00] |
|
|
| Inp | 2614.00 | NIST | |
| Inp | 2614.00 | NIST | |
| Tboil | 648.90 | K | Relay (1.0) Calculated Property |
| Tc | 842.61 | K | Relay (1.0) Calculated Property |
| Tfus | 282.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.215 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.60; 1095.80] | J/mol×K | [810.74; 1000.71] |
|
| Cp,gas | 997.60 | J/mol×K | 810.74 | Joback Calculated Property |
| Cp,gas | 1016.73 | J/mol×K | 842.40 | Joback Calculated Property |
| Cp,gas | 1034.70 | J/mol×K | 874.06 | Joback Calculated Property |
| Cp,gas | 1051.54 | J/mol×K | 905.73 | Joback Calculated Property |
| Cp,gas | 1067.31 | J/mol×K | 937.39 | Joback Calculated Property |
| Cp,gas | 1082.05 | J/mol×K | 969.05 | Joback Calculated Property |
| Cp,gas | 1095.80 | J/mol×K | 1000.71 | Joback Calculated Property |
| η | [0.0000434; 0.0012542] | Pa×s | [417.72; 810.74] |
|
| η | 0.0012542 | Pa×s | 417.72 | Joback Calculated Property |
| η | 0.0004895 | Pa×s | 483.22 | Joback Calculated Property |
| η | 0.0002392 | Pa×s | 548.73 | Joback Calculated Property |
| η | 0.0001361 | Pa×s | 614.23 | Joback Calculated Property |
| η | 0.0000864 | Pa×s | 679.73 | Joback Calculated Property |
| η | 0.0000594 | Pa×s | 745.24 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 810.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, dodecyl ester.
Sources
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