- InChI
- InChI=1S/C15H24O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7,11-12,14-16H,5-6,8H2,1-4H3/t11-,12-,14-,15-/m0/s1
- InChI Key
- VYRPEQZTLXTRND-JURCDPSOSA-N
- Formula
- C15H24O
- SMILES
- CC1=CC2C(=C(C)C)CC(O)C(C)C2CC1
- Molecular Weight1
- 220.35
- 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° | 53.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2034.55 | kPa | Joback Calculated Property |
| Inp | [1680.00; 1680.00] |
|
|
| Inp | 1680.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Tboil | 666.66 | K | Joback Calculated Property |
| Tc | 869.95 | K | Joback Calculated Property |
| Tfus | 342.63 | K | Joback Calculated Property |
| Vc | 0.745 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.39; 677.18] | J/mol×K | [666.66; 869.95] |
|
| Cp,gas | 578.39 | J/mol×K | 666.66 | Joback Calculated Property |
| Cp,gas | 597.44 | J/mol×K | 700.54 | Joback Calculated Property |
| Cp,gas | 615.40 | J/mol×K | 734.42 | Joback Calculated Property |
| Cp,gas | 632.32 | J/mol×K | 768.31 | Joback Calculated Property |
| Cp,gas | 648.22 | J/mol×K | 802.19 | Joback Calculated Property |
| Cp,gas | 663.16 | J/mol×K | 836.07 | Joback Calculated Property |
| Cp,gas | 677.18 | J/mol×K | 869.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-(1S,6S,9R,10R)-9«alpha»-Hydroxyamorpha-4,7(11)-diene.
Sources
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