- InChI
- InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h20-21,25-27H,10-19H2,1-9H3/t20-,21+,25+,26+,27-,29-,30-,31-,32+/m0/s1
- InChI Key
- GXGXUGKOSZFXNS-XKRMTFNLSA-N
- Formula
- C32H52O2
- SMILES
-
CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)
C)C1(C)CCC2(C)CCC(C)C(C)C2C1(C )CC3 - Molecular Weight1
- 468.75
- 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° | 148.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.07 | kJ/mol | Joback Calculated Property |
| log10WS | -9.34 | Crippen Calculated Property | |
| logPoct/wat | 8.740 | Crippen Calculated Property | |
| McVol | 410.580 | ml/mol | McGowan Calculated Property |
| Pc | 889.47 | kPa | Joback Calculated Property |
| Inp | 3387.00 | NIST | |
| Tboil | 1058.41 | K | Joback Calculated Property |
| Tc | 1308.83 | K | Joback Calculated Property |
| Tfus | 711.72 | K | Joback Calculated Property |
| Vc | 1.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1700.06; 2174.92] | J/mol×K | [1058.41; 1308.83] | 
|
| Cp,gas | 1700.06 | J/mol×K | 1058.41 | Joback Calculated Property |
| Cp,gas | 1762.02 | J/mol×K | 1100.15 | Joback Calculated Property |
| Cp,gas | 1829.75 | J/mol×K | 1141.88 | Joback Calculated Property |
| Cp,gas | 1904.08 | J/mol×K | 1183.62 | Joback Calculated Property |
| Cp,gas | 1985.83 | J/mol×K | 1225.36 | Joback Calculated Property |
| Cp,gas | 2075.84 | J/mol×K | 1267.09 | Joback Calculated Property |
| Cp,gas | 2174.92 | J/mol×K | 1308.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobauerenol (8-bauerenol) acetate.
Sources
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