- InChI
- InChI=1S/C29H47F7O4/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/h16-17,24H,3-15,18-23H2,1-2H3/b17-16-
- InChI Key
- JNINHMOSIJZDCZ-MSUUIHNZSA-N
- Formula
- C29H47F7O4
- SMILES
-
CCCCCCCCCCCCCCC=CCCCCCCC(OC(=O
)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O C - Molecular Weight1
- 592.67
- 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° | -1551.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2418.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.42 | kJ/mol | Joback Calculated Property |
| log10WS | -10.94 | Crippen Calculated Property | |
| logPoct/wat | 9.892 | Crippen Calculated Property | |
| McVol | 442.440 | ml/mol | McGowan Calculated Property |
| Pc | 592.57 | kPa | Joback Calculated Property |
| Inp | 2725.00 | NIST | |
| Tboil | 1004.42 | K | Joback Calculated Property |
| Tc | 1266.66 | K | Joback Calculated Property |
| Tfus | 552.22 | K | Joback Calculated Property |
| Vc | 1.774 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1556.84; 1679.51] | J/mol×K | [1004.42; 1266.66] | 
|
| Cp,gas | 1556.84 | J/mol×K | 1004.42 | Joback Calculated Property |
| Cp,gas | 1580.39 | J/mol×K | 1048.13 | Joback Calculated Property |
| Cp,gas | 1602.36 | J/mol×K | 1091.83 | Joback Calculated Property |
| Cp,gas | 1623.00 | J/mol×K | 1135.54 | Joback Calculated Property |
| Cp,gas | 1642.57 | J/mol×K | 1179.25 | Joback Calculated Property |
| Cp,gas | 1661.32 | J/mol×K | 1222.95 | Joback Calculated Property |
| Cp,gas | 1679.51 | J/mol×K | 1266.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Hydroxynervonic acid, HFB-Me.
Sources
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