- InChI
- InChI=1S/C33H54O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h11,21,23,25,28-29H,12-20H2,1-10H3/b22-11+/t23-,25-,28-,29-,31+,32-,33+/m1/s1
- InChI Key
- DJFUFRXAOIPMAV-LRQVTKJASA-N
- Formula
- C33H54O2
- SMILES
-
CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)
C)C1(C)CCC(C(C)CC=C(C)C(C)C)C1 (C)CC3 - Molecular Weight1
- 482.78
- 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° | 207.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.07 | kJ/mol | Joback Calculated Property |
| log10WS | -9.96 | Crippen Calculated Property | |
| logPoct/wat | 9.296 | Crippen Calculated Property | |
| McVol | 431.230 | ml/mol | McGowan Calculated Property |
| Pc | 800.24 | kPa | Joback Calculated Property |
| Inp | [3320.00; 3320.00] |
|
|
| Inp | 3320.00 | NIST | |
| Inp | 3320.00 | NIST | |
| Tboil | 1078.27 | K | Joback Calculated Property |
| Tc | 1323.90 | K | Joback Calculated Property |
| Tfus | 647.63 | K | Joback Calculated Property |
| Vc | 1.639 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1737.04; 2162.98] | J/mol×K | [1078.27; 1323.90] |
|
| Cp,gas | 1737.04 | J/mol×K | 1078.27 | Joback Calculated Property |
| Cp,gas | 1793.79 | J/mol×K | 1119.21 | Joback Calculated Property |
| Cp,gas | 1855.32 | J/mol×K | 1160.15 | Joback Calculated Property |
| Cp,gas | 1922.31 | J/mol×K | 1201.09 | Joback Calculated Property |
| Cp,gas | 1995.46 | J/mol×K | 1242.02 | Joback Calculated Property |
| Cp,gas | 2075.45 | J/mol×K | 1282.96 | Joback Calculated Property |
| Cp,gas | 2162.98 | J/mol×K | 1323.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-tirucalla-8,23-dien-3«beta»-ol, acetylated.
Sources
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