- InChI
- InChI=1S/C17H26O2/c1-10(2)14-7-6-12(4)17-15(14)8-11(3)9-16(17)19-13(5)18/h8,12,15-17H,6-7,9H2,1-5H3/t12-,15-,16+,17+/m0/s1
- InChI Key
- CWMAZHJECLOCQL-KKBVYLPWSA-N
- Formula
- C17H26O2
- SMILES
-
CC(=O)OC1CC(C)=CC2C(=C(C)C)CCC
(C)C12 - Molecular Weight1
- 262.39
- Other Names
-
- (-)-(1R,2R,6R,10S)-2«beta»-Acetoxyamorpha-4,7(11)-diene
- 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° | -26.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.68 | Crippen Calculated Property | |
| logPoct/wat | 4.267 | Crippen Calculated Property | |
| McVol | 227.510 | ml/mol | McGowan Calculated Property |
| Pc | 1659.19 | kPa | Joback Calculated Property |
| Inp | [1721.00; 1721.00] |
|
|
| Inp | 1721.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Tboil | 696.53 | K | Joback Calculated Property |
| Tc | 911.75 | K | Joback Calculated Property |
| Tfus | 376.51 | K | Joback Calculated Property |
| Vc | 0.862 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.19; 782.98] | J/mol×K | [696.53; 911.75] |
|
| Cp,gas | 674.19 | J/mol×K | 696.53 | Joback Calculated Property |
| Cp,gas | 695.52 | J/mol×K | 732.40 | Joback Calculated Property |
| Cp,gas | 715.53 | J/mol×K | 768.27 | Joback Calculated Property |
| Cp,gas | 734.24 | J/mol×K | 804.14 | Joback Calculated Property |
| Cp,gas | 751.69 | J/mol×K | 840.01 | Joback Calculated Property |
| Cp,gas | 767.93 | J/mol×K | 875.88 | Joback Calculated Property |
| Cp,gas | 782.98 | J/mol×K | 911.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2«beta»-Acetoxyamorpha-4,7(11)-diene.
Sources
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