- InChI
- InChI=1S/C23H37F7O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(31)33-2)34-20(32)21(24,25)22(26,27)23(28,29)30/h18H,3-17H2,1-2H3
- InChI Key
- KEYQLGZMFHOTEW-UHFFFAOYSA-N
- Formula
- C23H37F7O4
- SMILES
-
CCCCCCCCCCCCCCCCC(OC(=O)C(F)(F
)C(F)(F)C(F)(F)F)C(=O)OC - Molecular Weight1
- 510.53
- ω : Acentric Factor.
- 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).
- 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 | 1.0806 | Relay (1.0) Calculated Property | |
| ΔfG° | -1682.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2523.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.776 | Crippen Calculated Property | |
| McVol | 362.200 | ml/mol | McGowan Calculated Property |
| Pc | 778.51 | kPa | Joback Calculated Property |
| Inp | [2185.00; 2185.00] |
|
|
| Inp | 2185.00 | NIST | |
| Inp | 2185.00 | NIST | |
| Tboil | 591.09 | K | Relay (1.0) Calculated Property |
| Tc | 714.56 | K | Relay (1.0) Calculated Property |
| Tfus | 297.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.363 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1206.35; 1300.22] | J/mol×K | [862.98; 1060.18] |
|
| Cp,gas | 1206.35 | J/mol×K | 862.98 | Joback Calculated Property |
| Cp,gas | 1224.71 | J/mol×K | 895.85 | Joback Calculated Property |
| Cp,gas | 1241.88 | J/mol×K | 928.71 | Joback Calculated Property |
| Cp,gas | 1257.93 | J/mol×K | 961.58 | Joback Calculated Property |
| Cp,gas | 1272.95 | J/mol×K | 994.44 | Joback Calculated Property |
| Cp,gas | 1287.02 | J/mol×K | 1027.31 | Joback Calculated Property |
| Cp,gas | 1300.22 | J/mol×K | 1060.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Hydroxystearic acid, HFB-Me.
Sources
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