- InChI
- InChI=1S/C29H49F7O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25(37)39-2)40-26(38)27(30,31)28(32,33)29(34,35)36/h24H,3-23H2,1-2H3
- InChI Key
- QRJUMVCTBZKGFE-UHFFFAOYSA-N
- Formula
- C29H49F7O4
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCC(OC(=O)
C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC - Molecular Weight1
- 594.69
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -1632.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2535.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.47 | kJ/mol | Joback Calculated Property |
| log10WS | -11.09 | Crippen Calculated Property | |
| logPoct/wat | 10.116 | Crippen Calculated Property | |
| McVol | 446.740 | ml/mol | McGowan Calculated Property |
| Pc | 577.85 | kPa | Joback Calculated Property |
| Inp | 2753.00 | NIST | |
| Tboil | 1000.26 | K | Joback Calculated Property |
| Tc | 1267.57 | K | Joback Calculated Property |
| Tfus | 557.30 | K | Joback Calculated Property |
| Vc | 1.794 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1585.09; 1706.82] | J/mol×K | [1000.26; 1267.57] | 
|
| Cp,gas | 1585.09 | J/mol×K | 1000.26 | Joback Calculated Property |
| Cp,gas | 1609.37 | J/mol×K | 1044.81 | Joback Calculated Property |
| Cp,gas | 1631.72 | J/mol×K | 1089.36 | Joback Calculated Property |
| Cp,gas | 1652.40 | J/mol×K | 1133.91 | Joback Calculated Property |
| Cp,gas | 1671.65 | J/mol×K | 1178.47 | Joback Calculated Property |
| Cp,gas | 1689.70 | J/mol×K | 1223.02 | Joback Calculated Property |
| Cp,gas | 1706.82 | J/mol×K | 1267.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Hydroxylignoceric acid, HFB-Me.
Sources
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