- 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
- 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° | 21.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.22 | kJ/mol | Joback Calculated Property |
| log10WS | -7.42 | Crippen Calculated Property | |
| logPoct/wat | 6.864 | Crippen Calculated Property | |
| McVol | 318.610 | ml/mol | McGowan Calculated Property |
| Pc | 1075.69 | kPa | Joback Calculated Property |
| Inp | [2614.00; 2614.00] |
|
|
| Inp | 2614.00 | NIST | |
| Inp | 2614.00 | NIST | |
| Tboil | 828.61 | K | Joback Calculated Property |
| Tc | 1021.45 | K | Joback Calculated Property |
| Tfus | 447.55 | K | Joback Calculated Property |
| Vc | 1.240 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1006.10; 1104.00] | J/mol×K | [828.61; 1021.45] |
|
| Cp,gas | 1006.10 | J/mol×K | 828.61 | Joback Calculated Property |
| Cp,gas | 1025.11 | J/mol×K | 860.75 | Joback Calculated Property |
| Cp,gas | 1042.98 | J/mol×K | 892.89 | Joback Calculated Property |
| Cp,gas | 1059.76 | J/mol×K | 925.03 | Joback Calculated Property |
| Cp,gas | 1075.50 | J/mol×K | 957.17 | Joback Calculated Property |
| Cp,gas | 1090.23 | J/mol×K | 989.31 | Joback Calculated Property |
| Cp,gas | 1104.00 | J/mol×K | 1021.45 | Joback Calculated Property |
| η | [0.0000492; 0.0009474] | Pa×s | [447.55; 828.61] |
|
| η | 0.0009474 | Pa×s | 447.55 | Joback Calculated Property |
| η | 0.0004261 | Pa×s | 511.06 | Joback Calculated Property |
| η | 0.0002287 | Pa×s | 574.57 | Joback Calculated Property |
| η | 0.0001389 | Pa×s | 638.08 | Joback Calculated Property |
| η | 0.0000923 | Pa×s | 701.59 | Joback Calculated Property |
| η | 0.0000657 | Pa×s | 765.10 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 828.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, dodecyl ester.
Sources
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