- InChI
- InChI=1S/C30H46O2/c1-8-22(19(2)3)17-20(4)26-11-12-27-25-10-9-23-18-24(32-21(5)31)13-15-29(23,6)28(25)14-16-30(26,27)7/h8,12,19-20,23-24,26H,9-11,13-18H2,1-7H3/b22-8-/t20?,23?,24-,26+,29-,30+/m1/s1
- InChI Key
- ORZLNKKIYBRHAR-ZMFSMEMUSA-N
- Formula
- C30H46O2
- SMILES
-
CC=C(CC(C)C1CC=C2C3=C(CCC21C)C
1(C)CCC(OC(C)=O)CC1CC3)C(C)C - Molecular Weight1
- 438.69
- 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° | 229.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.26 | kJ/mol | Joback Calculated Property |
| log10WS | -9.04 | Crippen Calculated Property | |
| logPoct/wat | 8.190 | Crippen Calculated Property | |
| McVol | 384.660 | ml/mol | McGowan Calculated Property |
| Pc | 946.75 | kPa | Joback Calculated Property |
| Inp | [3385.00; 3385.00] |
|
|
| Inp | 3385.00 | NIST | |
| Inp | 3385.00 | NIST | |
| Tboil | 1022.63 | K | Joback Calculated Property |
| Tc | 1261.04 | K | Joback Calculated Property |
| Tfus | 587.78 | K | Joback Calculated Property |
| Vc | 1.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1441.58; 1679.04] | J/mol×K | [1022.63; 1261.04] |
|
| Cp,gas | 1441.58 | J/mol×K | 1022.63 | Joback Calculated Property |
| Cp,gas | 1476.36 | J/mol×K | 1062.37 | Joback Calculated Property |
| Cp,gas | 1512.51 | J/mol×K | 1102.10 | Joback Calculated Property |
| Cp,gas | 1550.45 | J/mol×K | 1141.84 | Joback Calculated Property |
| Cp,gas | 1590.58 | J/mol×K | 1181.57 | Joback Calculated Property |
| Cp,gas | 1633.31 | J/mol×K | 1221.31 | Joback Calculated Property |
| Cp,gas | 1679.04 | J/mol×K | 1261.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Vernosterol acetate.
Sources
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