- InChI
- InChI=1S/C32H52O2/c1-20(2)21(3)10-11-22(4)25-14-18-32(9)28-13-12-26-23(5)29(34-24(6)33)16-17-30(26,7)27(28)15-19-31(25,32)8/h20,22-23,25-26,29H,3,10-19H2,1-2,4-9H3/t22-,23+,25-,26?,29+,30+,31-,32+/m0/s1
- InChI Key
- QZHIABMWLYKDJA-HTDQBKTMSA-N
- Formula
- C32H52O2
- SMILES
-
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C
)C1(C)CCC(OC(C)=O)C(C)C1CC3)C( C)C - Molecular Weight1
- 468.75
- 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 | 0.6535 | Relay (1.0) Calculated Property | |
| ΔfG° | 212.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.906 | Crippen Calculated Property | |
| McVol | 417.140 | ml/mol | McGowan Calculated Property |
| Pc | 819.13 | kPa | Joback Calculated Property |
| Inp | 3328.00 | NIST | |
| Tboil | 706.79 | K | Relay (1.0) Calculated Property |
| Tc | 975.36 | K | Relay (1.0) Calculated Property |
| Tfus | 400.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.474 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1632.41; 1944.59] | J/mol×K | [1047.67; 1286.79] | 
|
| Cp,gas | 1632.41 | J/mol×K | 1047.67 | Joback Calculated Property |
| Cp,gas | 1676.36 | J/mol×K | 1087.52 | Joback Calculated Property |
| Cp,gas | 1722.87 | J/mol×K | 1127.38 | Joback Calculated Property |
| Cp,gas | 1772.44 | J/mol×K | 1167.23 | Joback Calculated Property |
| Cp,gas | 1825.58 | J/mol×K | 1207.08 | Joback Calculated Property |
| Cp,gas | 1882.79 | J/mol×K | 1246.93 | Joback Calculated Property |
| Cp,gas | 1944.59 | J/mol×K | 1286.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Obtusifoliol acetate.
Sources
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