- InChI
- InChI=1S/C32H54O4/c1-19(2)11-10-12-20(3)22-13-16-31(9)30(22,8)18-23(34)27-29(7)15-14-25(35-21(4)33)28(5,6)24(29)17-26-32(27,31)36-26/h19-20,22-27,34H,10-18H2,1-9H3/t20?,22-,23?,24?,25+,26?,27?,29+,30-,31-,32?/m0/s1
- InChI Key
- FRTKIPFUELVLHQ-FKTAOPPRSA-N
- Formula
- C32H54O4
- SMILES
-
CC(=O)OC1CCC2(C)C(CC3OC34C2C(O
)CC2(C)C(C(C)CCCC(C)C)CCC24C)C 1(C)C - Molecular Weight1
- 502.77
- 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° | -49.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -943.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.87 | kJ/mol | Joback Calculated Property |
| log10WS | -8.18 | Crippen Calculated Property | |
| logPoct/wat | 7.168 | Crippen Calculated Property | |
| McVol | 426.620 | ml/mol | McGowan Calculated Property |
| Pc | 868.62 | kPa | Joback Calculated Property |
| Inp | [459.10; 459.10] |
|
|
| Inp | 459.10 | NIST | |
| Inp | 459.10 | NIST | |
| Tboil | 1145.79 | K | Joback Calculated Property |
| Tc | 1404.00 | K | Joback Calculated Property |
| Tfus | 753.15 | K | Joback Calculated Property |
| Vc | 1.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1921.41; 2559.30] | J/mol×K | [1145.79; 1404.00] |
|
| Cp,gas | 1921.41 | J/mol×K | 1145.79 | Joback Calculated Property |
| Cp,gas | 2002.73 | J/mol×K | 1188.83 | Joback Calculated Property |
| Cp,gas | 2092.74 | J/mol×K | 1231.86 | Joback Calculated Property |
| Cp,gas | 2192.44 | J/mol×K | 1274.90 | Joback Calculated Property |
| Cp,gas | 2302.78 | J/mol×K | 1317.93 | Joback Calculated Property |
| Cp,gas | 2424.74 | J/mol×K | 1360.97 | Joback Calculated Property |
| Cp,gas | 2559.30 | J/mol×K | 1404.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Acetoxy-7,8-epoxylanostan-11-ol.
Sources
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