- InChI
- InChI=1S/C17H28O2/c1-13-8-9-16(19-15(3)18)14(2)7-6-11-17(4,5)12-10-13/h6,10-11,14,16H,7-9,12H2,1-5H3/b11-6+,13-10+
- InChI Key
- OOEIWBNDEFVSKN-PIUHNEHMSA-N
- Formula
- C17H28O2
- SMILES
-
CC(=O)OC1CCC(C)=CCC(C)(C)C=CCC
1C - Molecular Weight1
- 264.40
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4054 | Relay (1.0) Calculated Property | |
| ΔfG° | -148.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.657 | Crippen Calculated Property | |
| McVol | 238.370 | ml/mol | McGowan Calculated Property |
| Pc | 1682.41 | kPa | Joback Calculated Property |
| Inp | [1789.00; 1789.00] |
|
|
| Inp | 1789.00 | NIST | |
| Inp | 1789.00 | NIST | |
| Tboil | 574.33 | K | Relay (1.0) Calculated Property |
| Tc | 754.48 | K | Relay (1.0) Calculated Property |
| Tfus | 289.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.794 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [696.67; 821.61] | J/mol×K | [699.75; 927.49] |
|
| Cp,gas | 696.67 | J/mol×K | 699.75 | Joback Calculated Property |
| Cp,gas | 720.71 | J/mol×K | 737.71 | Joback Calculated Property |
| Cp,gas | 743.38 | J/mol×K | 775.66 | Joback Calculated Property |
| Cp,gas | 764.73 | J/mol×K | 813.62 | Joback Calculated Property |
| Cp,gas | 784.84 | J/mol×K | 851.58 | Joback Calculated Property |
| Cp,gas | 803.78 | J/mol×K | 889.53 | Joback Calculated Property |
| Cp,gas | 821.61 | J/mol×K | 927.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Acetoxy-«alpha»-humulene.
Sources
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