- InChI
- InChI=1S/C17H26O2/c1-13-8-9-16(19-15(3)18)14(2)7-6-11-17(4,5)12-10-13/h6,10-11,16H,2,7-9,12H2,1,3-5H3/b11-6+,13-10+/t16-/m0/s1
- InChI Key
- KNKUCEKTTLJYCQ-GHARQKGBSA-N
- Formula
- C17H26O2
- SMILES
-
C=C1CC=CC(C)(C)CC=C(C)CCC1OC(C
)=O - Molecular Weight1
- 262.39
- 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° | -87.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.83 | kJ/mol | Joback Calculated Property |
| log10WS | -5.13 | Crippen Calculated Property | |
| logPoct/wat | 4.577 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1756.54 | kPa | Joback Calculated Property |
| Inp | [1789.00; 1789.00] |
|
|
| Inp | 1789.00 | NIST | |
| Inp | 1789.00 | NIST | |
| Tboil | 703.58 | K | Joback Calculated Property |
| Tc | 933.00 | K | Joback Calculated Property |
| Tfus | 390.67 | K | Joback Calculated Property |
| Vc | 0.858 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [669.47; 787.02] | J/mol×K | [703.58; 933.00] |
|
| Cp,gas | 669.47 | J/mol×K | 703.58 | Joback Calculated Property |
| Cp,gas | 692.05 | J/mol×K | 741.82 | Joback Calculated Property |
| Cp,gas | 713.35 | J/mol×K | 780.05 | Joback Calculated Property |
| Cp,gas | 733.42 | J/mol×K | 818.29 | Joback Calculated Property |
| Cp,gas | 752.34 | J/mol×K | 856.53 | Joback Calculated Property |
| Cp,gas | 770.18 | J/mol×K | 894.76 | Joback Calculated Property |
| Cp,gas | 787.02 | J/mol×K | 933.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (6R)-Hydroxy-«alpha»-humulene acetate.
Sources
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