- InChI
- InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h12,15H,5-8H2,1-4H3
- InChI Key
- DOLFMVAJDYALTI-UHFFFAOYSA-N
- Formula
- C13H22O2
- SMILES
- CC(=O)CCC1=C(C)C(O)CCC1(C)C
- Molecular Weight1
- 210.31
- 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 | 0.5490 | Relay (... Calculated Property | |
| ΔfG° | -185.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -460.98 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.84 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -1.53 | Relay (... Calculated Property | |
| logPoct/wat | 2.853 | Crippen Calculated Property | |
| McVol | 186.310 | ml/mol | McGowan Calculated Property |
| Pc | 2293.71 | kPa | Joback Calculated Property |
| Inp | [1648.00; 1648.00] |
|
|
| Inp | 1648.00 | NIST | |
| Inp | 1648.00 | NIST | |
| Tboil | 552.36 | K | Relay (... Calculated Property |
| Tc | 763.99 | K | Relay (... Calculated Property |
| Tfus | 347.02 | K | Relay (... Calculated Property |
| Vc | 0.641 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.49; 607.43] | J/mol×K | [667.13; 863.93] |
|
| Cp,gas | 522.49 | J/mol×K | 667.13 | Joback Calculated Property |
| Cp,gas | 538.07 | J/mol×K | 699.93 | Joback Calculated Property |
| Cp,gas | 552.96 | J/mol×K | 732.73 | Joback Calculated Property |
| Cp,gas | 567.27 | J/mol×K | 765.53 | Joback Calculated Property |
| Cp,gas | 581.06 | J/mol×K | 798.33 | Joback Calculated Property |
| Cp,gas | 594.42 | J/mol×K | 831.13 | Joback Calculated Property |
| Cp,gas | 607.43 | J/mol×K | 863.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohex-2-en-1-ol, 2,4,4-trimethyl-3-(3-oxobutyl).
Sources
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