- InChI
- InChI=1S/C31H50O3/c1-19(32)21-11-14-28(5)17-18-30(7)22(26(21)28)9-10-24-29(6)15-13-25(34-20(2)33)27(3,4)23(29)12-16-31(24,30)8/h21-26H,9-18H2,1-8H3/t21-,22?,23?,24?,25-,26?,28+,29-,30+,31+/m1/s1
- InChI Key
- CACUJZIALZRTTC-LEAOFOMISA-N
- Formula
- C31H50O3
- SMILES
-
CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC
2C4C(C(C)=O)CCC4(C)CCC23C)C1(C )C - Molecular Weight1
- 470.73
- 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° | 4.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.49 | kJ/mol | Joback Calculated Property |
| log10WS | -8.11 | Crippen Calculated Property | |
| logPoct/wat | 7.609 | Crippen Calculated Property | |
| McVol | 402.360 | ml/mol | McGowan Calculated Property |
| Pc | 942.10 | kPa | Joback Calculated Property |
| Inp | 3550.00 | NIST | |
| Tboil | 1071.34 | K | Joback Calculated Property |
| Tc | 1322.70 | K | Joback Calculated Property |
| Tfus | 723.86 | K | Joback Calculated Property |
| Vc | 1.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1697.38; 2187.15] | J/mol×K | [1071.34; 1322.70] | 
|
| Cp,gas | 1697.38 | J/mol×K | 1071.34 | Joback Calculated Property |
| Cp,gas | 1760.79 | J/mol×K | 1113.23 | Joback Calculated Property |
| Cp,gas | 1830.35 | J/mol×K | 1155.13 | Joback Calculated Property |
| Cp,gas | 1906.93 | J/mol×K | 1197.02 | Joback Calculated Property |
| Cp,gas | 1991.35 | J/mol×K | 1238.91 | Joback Calculated Property |
| Cp,gas | 2084.48 | J/mol×K | 1280.80 | Joback Calculated Property |
| Cp,gas | 2187.15 | J/mol×K | 1322.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3«beta»-Acetoxy-30-norlupan-20-one.
Sources
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