- InChI
- InChI=1S/C15H22O/c1-8(2)14-11-5-9(3)6-12-15(11)10(4)7-13(14)16-12/h5,10-13,15H,6-7H2,1-4H3/t10-,11+,12+,13+,15+/m0/s1
- InChI Key
- HWBVMESCZGIWFV-KMCWBVRRSA-N
- Formula
- C15H22O
- SMILES
-
CC1=CC2C(=C(C)C)C3CC(C)C2C(C1)
O3 - Molecular Weight1
- 218.33
- 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° | 189.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 3.712 | Crippen Calculated Property | |
| McVol | 186.900 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | [1597.00; 1597.00] |
|
|
| Inp | 1597.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Tboil | 599.63 | K | Joback Calculated Property |
| Tc | 816.32 | K | Joback Calculated Property |
| Tfus | 333.36 | K | Joback Calculated Property |
| Vc | 0.720 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.85; 632.68] | J/mol×K | [599.63; 816.32] |
|
| Cp,gas | 522.85 | J/mol×K | 599.63 | Joback Calculated Property |
| Cp,gas | 544.19 | J/mol×K | 635.75 | Joback Calculated Property |
| Cp,gas | 564.19 | J/mol×K | 671.86 | Joback Calculated Property |
| Cp,gas | 582.95 | J/mol×K | 707.98 | Joback Calculated Property |
| Cp,gas | 600.56 | J/mol×K | 744.09 | Joback Calculated Property |
| Cp,gas | 617.10 | J/mol×K | 780.21 | Joback Calculated Property |
| Cp,gas | 632.68 | J/mol×K | 816.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-(1R,2S,6R,8S,10S)-2,8-Epoxyamorpha-4,7(11)-diene.
Sources
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