- InChI
- InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-29-27(28)24-19-18-23-26-21-16-15-17-22-26/h15-17,21-22H,2-14,18-20,23-25H2,1H3
- InChI Key
- LJROKOFJSTZXQD-UHFFFAOYSA-N
- Formula
- C27H46O2
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCc1cc
ccc1 - Molecular Weight1
- 402.65
- 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° | 54.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -608.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.13 | kJ/mol | Joback Calculated Property |
| log10WS | -9.09 | Crippen Calculated Property | |
| logPoct/wat | 8.424 | Crippen Calculated Property | |
| McVol | 374.970 | ml/mol | McGowan Calculated Property |
| Pc | 848.50 | kPa | Joback Calculated Property |
| Inp | [3024.00; 3024.00] |
|
|
| Inp | 3024.00 | NIST | |
| Inp | 3024.00 | NIST | |
| Tboil | 920.13 | K | Joback Calculated Property |
| Tc | 1126.50 | K | Joback Calculated Property |
| Tfus | 492.63 | K | Joback Calculated Property |
| Vc | 1.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1256.14; 1359.23] | J/mol×K | [920.13; 1126.50] |
|
| Cp,gas | 1256.14 | J/mol×K | 920.13 | Joback Calculated Property |
| Cp,gas | 1276.46 | J/mol×K | 954.52 | Joback Calculated Property |
| Cp,gas | 1295.44 | J/mol×K | 988.92 | Joback Calculated Property |
| Cp,gas | 1313.14 | J/mol×K | 1023.31 | Joback Calculated Property |
| Cp,gas | 1329.63 | J/mol×K | 1057.71 | Joback Calculated Property |
| Cp,gas | 1344.97 | J/mol×K | 1092.10 | Joback Calculated Property |
| Cp,gas | 1359.23 | J/mol×K | 1126.50 | Joback Calculated Property |
| η | [0.0000275; 0.0005922] | Pa×s | [492.63; 920.13] |
|
| η | 0.0005922 | Pa×s | 492.63 | Joback Calculated Property |
| η | 0.0002570 | Pa×s | 563.88 | Joback Calculated Property |
| η | 0.0001345 | Pa×s | 635.13 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 706.38 | Joback Calculated Property |
| η | 0.0000526 | Pa×s | 777.63 | Joback Calculated Property |
| η | 0.0000370 | Pa×s | 848.88 | Joback Calculated Property |
| η | 0.0000275 | Pa×s | 920.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, hexadecyl ester.
Sources
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