- InChI
- InChI=1S/C17H28O3/c1-11(2)17(19)10-9-16(5)8-6-7-12(3)14(16)15(17)20-13(4)18/h11,14-15,19H,3,6-10H2,1-2,4-5H3/t14?,15?,16-,17-/m0/s1
- InChI Key
- UKFCOAIBDHEBAF-GQGLESIBSA-N
- Formula
- C17H28O3
- SMILES
-
C=C1CCCC2(C)CCC(O)(C(C)C)C(OC(
C)=O)C12 - Molecular Weight1
- 280.40
- 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° | -181.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 3.462 | Crippen Calculated Property | |
| McVol | 237.680 | ml/mol | McGowan Calculated Property |
| Pc | 1888.72 | kPa | Joback Calculated Property |
| Inp | [1879.00; 1879.00] |
|
|
| Inp | 1879.00 | NIST | |
| Inp | 1879.00 | NIST | |
| Tboil | 777.25 | K | Joback Calculated Property |
| Tc | 987.51 | K | Joback Calculated Property |
| Tfus | 474.13 | K | Joback Calculated Property |
| Vc | 0.884 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.48; 878.56] | J/mol×K | [777.25; 987.51] |
|
| Cp,gas | 761.48 | J/mol×K | 777.25 | Joback Calculated Property |
| Cp,gas | 781.30 | J/mol×K | 812.29 | Joback Calculated Property |
| Cp,gas | 800.75 | J/mol×K | 847.34 | Joback Calculated Property |
| Cp,gas | 820.02 | J/mol×K | 882.38 | Joback Calculated Property |
| Cp,gas | 839.28 | J/mol×K | 917.42 | Joback Calculated Property |
| Cp,gas | 858.73 | J/mol×K | 952.46 | Joback Calculated Property |
| Cp,gas | 878.56 | J/mol×K | 987.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Acetoxyeudesm-4(15)-en-7«beta»-ol.
Sources
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