- InChI
- InChI=1S/C17H28O2/c1-12-6-5-7-14(11-19-13(2)18)8-9-16-15(12)10-17(16,3)4/h14-16H,1,5-11H2,2-4H3
- InChI Key
- IUJQNPWRCLHBKE-UHFFFAOYSA-N
- Formula
- C17H28O2
- SMILES
-
C=C1CCCC(COC(C)=O)CCC2C1CC2(C)
C - 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).
- I : 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 | 0.4632 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.348 | Crippen Calculated Property | |
| McVol | 231.810 | ml/mol | McGowan Calculated Property |
| Pc | 1706.12 | kPa | Joback Calculated Property |
| I | [2282.00; 2282.00] |
|
|
| I | 2282.00 | NIST | |
| I | 2282.00 | NIST | |
| I | 2282.00 | NIST | |
| Tboil | 604.87 | K | Relay (1.0) Calculated Property |
| Tc | 806.98 | K | Relay (1.0) Calculated Property |
| Tfus | 311.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.781 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.54; 818.12] | J/mol×K | [689.54; 908.30] |
|
| Cp,gas | 695.54 | J/mol×K | 689.54 | Joback Calculated Property |
| Cp,gas | 718.66 | J/mol×K | 726.00 | Joback Calculated Property |
| Cp,gas | 740.56 | J/mol×K | 762.46 | Joback Calculated Property |
| Cp,gas | 761.34 | J/mol×K | 798.92 | Joback Calculated Property |
| Cp,gas | 781.12 | J/mol×K | 835.38 | Joback Calculated Property |
| Cp,gas | 800.01 | J/mol×K | 871.84 | Joback Calculated Property |
| Cp,gas | 818.12 | J/mol×K | 908.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 14-Acetoxy-4,5-dihydro- «beta»-caryophyllene.
Sources
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