- InChI
- InChI=1S/C13H22O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h6-7,12,14H,5,8-9H2,1-4H3/b7-6+
- InChI Key
- SPJJJLMGNIWHRG-VOTSOKGWSA-N
- Formula
- C13H22O
- SMILES
- CCC=CC1=C(C)C(O)CCC1(C)C
- Molecular Weight1
- 194.31
- Other Names
-
- 3-(but-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-ol
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 23.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -262.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 3.450 | Crippen Calculated Property | |
| McVol | 180.440 | ml/mol | McGowan Calculated Property |
| Pc | 2269.73 | kPa | Joback Calculated Property |
| Inp | 1337.00 | NIST | |
| Tboil | 617.42 | K | Joback Calculated Property |
| Tc | 814.43 | K | Joback Calculated Property |
| Tfus | 344.85 | K | Joback Calculated Property |
| Vc | 0.678 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.74; 567.72] | J/mol×K | [617.42; 814.43] | 
|
| Cp,gas | 479.74 | J/mol×K | 617.42 | Joback Calculated Property |
| Cp,gas | 496.04 | J/mol×K | 650.26 | Joback Calculated Property |
| Cp,gas | 511.57 | J/mol×K | 683.09 | Joback Calculated Property |
| Cp,gas | 526.41 | J/mol×K | 715.93 | Joback Calculated Property |
| Cp,gas | 540.65 | J/mol×K | 748.76 | Joback Calculated Property |
| Cp,gas | 554.39 | J/mol×K | 781.60 | Joback Calculated Property |
| Cp,gas | 567.72 | J/mol×K | 814.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-ol, 3-(1-buten-1-yl), 2,4,4-trimethyl.
Sources
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