- InChI
- InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3
- InChI Key
- XUARCIYIVXVTAE-UHFFFAOYSA-N
- Formula
- C30H50O2
- SMILES
-
CC1CCC2(CO)CCC3(C)C(=CCC4C5(C)
CCC(O)C(C)(C)C5CCC43C)C2C1C - Molecular Weight1
- 442.72
- CAS
- 545-46-0
- Other Names
-
- Uvaol
- 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° | 93.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.85 | kJ/mol | Joback Calculated Property |
| log10WS | -7.93 | Crippen Calculated Property | |
| logPoct/wat | 6.997 | Crippen Calculated Property | |
| McVol | 386.700 | ml/mol | McGowan Calculated Property |
| Pc | 1081.35 | kPa | Joback Calculated Property |
| Inp | [3692.40; 3692.40] |
|
|
| Inp | 3692.40 | NIST | |
| Inp | 3692.40 | NIST | |
| Tboil | 1111.07 | K | Joback Calculated Property |
| Tc | 1360.43 | K | Joback Calculated Property |
| Tfus | 721.90 | K | Joback Calculated Property |
| Vc | 1.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1714.79; 2254.43] | J/mol×K | [1111.07; 1360.43] |
|
| Cp,gas | 1714.79 | J/mol×K | 1111.07 | Joback Calculated Property |
| Cp,gas | 1784.17 | J/mol×K | 1152.63 | Joback Calculated Property |
| Cp,gas | 1860.65 | J/mol×K | 1194.19 | Joback Calculated Property |
| Cp,gas | 1945.08 | J/mol×K | 1235.75 | Joback Calculated Property |
| Cp,gas | 2038.29 | J/mol×K | 1277.31 | Joback Calculated Property |
| Cp,gas | 2141.12 | J/mol×K | 1318.87 | Joback Calculated Property |
| Cp,gas | 2254.43 | J/mol×K | 1360.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to urs-12-ene-3«beta»,28-diol.
Sources
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