- InChI
- InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8,14H,3,5,7,9-10H2,1-2,4H3/t14-/m0/s1
- InChI Key
- FNSXIWZZZIJORF-AWEZNQCLSA-N
- Formula
- C15H22O
- SMILES
- C=C(CCC=C(C)C)C1CC=C(C)C(=O)C1
- Molecular Weight1
- 218.33
- CAS
- 5988-72-7
- 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 | 0.4205 | Relay (1.0) Calculated Property | |
| ΔfG° | 148.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -154.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.214 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| Inp | [1725.00; 1734.10] |
|
|
| Inp | 1734.10 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1734.10 | NIST | |
| Tboil | 571.76 | K | Relay (1.0) Calculated Property |
| Tc | 760.64 | K | Relay (1.0) Calculated Property |
| Tfus | 275.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.11; 635.31] | J/mol×K | [634.71; 854.27] |
|
| Cp,gas | 532.11 | J/mol×K | 634.71 | Joback Calculated Property |
| Cp,gas | 552.12 | J/mol×K | 671.30 | Joback Calculated Property |
| Cp,gas | 570.96 | J/mol×K | 707.90 | Joback Calculated Property |
| Cp,gas | 588.67 | J/mol×K | 744.49 | Joback Calculated Property |
| Cp,gas | 605.27 | J/mol×K | 781.08 | Joback Calculated Property |
| Cp,gas | 620.81 | J/mol×K | 817.68 | Joback Calculated Property |
| Cp,gas | 635.31 | J/mol×K | 854.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (R)-2-Methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-enone.
Sources
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