- InChI
- InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20?,21?,22-,23-,25?,26?,27?,28?,29?/m1/s1
- InChI Key
- JZVFJDZBLUFKCA-ITLDDNDGSA-N
- Formula
- C29H48O
- SMILES
-
CCC(C=CC(C)C1CCC2C3=CCC4CC(O)C
CC4(C)C3CCC21C)C(C)C - Molecular Weight1
- 412.69
- CAS
- 481-17-4
- Other Names
-
- Stigmasta-7,22-dien-3-ol, (3«beta»,5«alpha»,22E,24R)-
- 5«alpha»-Stigmasta-7,22-dien-3«beta»-ol, (24R)-
- 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° | 298.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.86 | kJ/mol | Joback Calculated Property |
| log10WS | -8.45 | Crippen Calculated Property | |
| logPoct/wat | 7.801 | Crippen Calculated Property | |
| McVol | 373.300 | ml/mol | McGowan Calculated Property |
| Pc | 990.75 | kPa | Joback Calculated Property |
| Inp | [3295.00; 3295.00] |
|
|
| Inp | 3295.00 | NIST | |
| Inp | 3295.00 | NIST | |
| Inp | 3295.00 | NIST | |
| Inp | 3295.00 | NIST | |
| Tboil | 996.86 | K | Joback Calculated Property |
| Tc | 1225.48 | K | Joback Calculated Property |
| Tfus | 529.85 | K | Joback Calculated Property |
| Vc | 1.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1430.59; 1654.02] | J/mol×K | [996.86; 1225.48] |
|
| Cp,gas | 1430.59 | J/mol×K | 996.86 | Joback Calculated Property |
| Cp,gas | 1463.99 | J/mol×K | 1034.96 | Joback Calculated Property |
| Cp,gas | 1498.43 | J/mol×K | 1073.07 | Joback Calculated Property |
| Cp,gas | 1534.27 | J/mol×K | 1111.17 | Joback Calculated Property |
| Cp,gas | 1571.91 | J/mol×K | 1149.28 | Joback Calculated Property |
| Cp,gas | 1611.70 | J/mol×K | 1187.38 | Joback Calculated Property |
| Cp,gas | 1654.02 | J/mol×K | 1225.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chondrillasterol.
Sources
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