- InChI
- InChI=1S/C15H22O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h7,10-11,14H,2,4-6,8-9H2,1,3H3/t11?,14?,15-/m1/s1
- InChI Key
- NRWGBVWLFAHFHR-WDIPEOLASA-N
- Formula
- C15H22O
- SMILES
- C=C1CCCC2CC=C(C(C)C=O)CC12C
- Molecular Weight1
- 218.33
- 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.
- 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 | 0.3287 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -184.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2202.08 | kPa | Joback Calculated Property |
| Inp | [1625.00; 1625.00] |
|
|
| Inp | 1625.00 | NIST | |
| Inp | 1625.00 | NIST | |
| I | [2120.00; 2120.00] |
|
|
| I | 2120.00 | NIST | |
| I | 2120.00 | NIST | |
| Tboil | 558.95 | K | Relay (1.0) Calculated Property |
| Tc | 785.02 | K | Relay (1.0) Calculated Property |
| Tfus | 364.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.34; 632.10] | J/mol×K | [624.92; 849.89] |
|
| Cp,gas | 526.34 | J/mol×K | 624.92 | Joback Calculated Property |
| Cp,gas | 546.45 | J/mol×K | 662.41 | Joback Calculated Property |
| Cp,gas | 565.35 | J/mol×K | 699.91 | Joback Calculated Property |
| Cp,gas | 583.21 | J/mol×K | 737.40 | Joback Calculated Property |
| Cp,gas | 600.19 | J/mol×K | 774.90 | Joback Calculated Property |
| Cp,gas | 616.43 | J/mol×K | 812.39 | Joback Calculated Property |
| Cp,gas | 632.10 | J/mol×K | 849.89 | Joback Calculated Property |
Similar Compounds
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Sources
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