- InChI
- InChI=1S/C32H51F5O2/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(39-28(38)31(33,34)32(35,36)37)14-16-29(22,5)27(24)15-17-30(25,26)6/h19-27H,7-18H2,1-6H3
- InChI Key
- DSZLEQOIFPKYAL-UHFFFAOYSA-N
- Formula
- C32H51F5O2
- SMILES
-
CCC(CCC(C)C1CCC2C3CCC4CC(OC(=O
)C(F)(F)C(F)(F)F)CCC4(C)C3CCC1 2C)C(C)C - Molecular Weight1
- 562.74
- 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 | 0.7535 | Relay (1.0) Calculated Property | |
| ΔfG° | -850.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1814.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.853 | Crippen Calculated Property | |
| McVol | 434.590 | ml/mol | McGowan Calculated Property |
| Pc | 691.07 | kPa | Joback Calculated Property |
| Inp | [3158.50; 3158.50] |
|
|
| Inp | 3158.50 | NIST | |
| Inp | 3158.50 | NIST | |
| Tboil | 709.67 | K | Relay (1.0) Calculated Property |
| Tc | 926.70 | K | Relay (1.0) Calculated Property |
| Tfus | 372.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.569 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1710.92; 1946.74] | J/mol×K | [1026.53; 1256.78] |
|
| Cp,gas | 1710.92 | J/mol×K | 1026.53 | Joback Calculated Property |
| Cp,gas | 1746.35 | J/mol×K | 1064.90 | Joback Calculated Property |
| Cp,gas | 1782.78 | J/mol×K | 1103.28 | Joback Calculated Property |
| Cp,gas | 1820.63 | J/mol×K | 1141.65 | Joback Calculated Property |
| Cp,gas | 1860.30 | J/mol×K | 1180.03 | Joback Calculated Property |
| Cp,gas | 1902.20 | J/mol×K | 1218.40 | Joback Calculated Property |
| Cp,gas | 1946.74 | J/mol×K | 1256.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Stigmastanol, pentafluoropropionate.
Sources
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