- InChI
- InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,10-11,14-15H,7-8H2,1-4H3/b6-5+
- InChI Key
- JUFKQNCQDFHWFD-AATRIKPKSA-N
- Formula
- C13H22O2
- SMILES
- CC1=C(C=CC(C)O)C(C)(C)CC(O)C1
- Molecular Weight1
- 210.31
- 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° | -115.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.05 | kJ/mol | Joback Calculated Property |
| log10WS | -3.38 | Crippen Calculated Property | |
| logPoct/wat | 2.421 | Crippen Calculated Property | |
| McVol | 186.310 | ml/mol | McGowan Calculated Property |
| Pc | 2502.50 | kPa | Joback Calculated Property |
| Inp | [1490.00; 1490.00] |
|
|
| Inp | 1490.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Tboil | 709.16 | K | Joback Calculated Property |
| Tc | 900.33 | K | Joback Calculated Property |
| Tfus | 390.67 | K | Joback Calculated Property |
| Vc | 0.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.73; 620.41] | J/mol×K | [709.16; 900.33] |
|
| Cp,gas | 541.73 | J/mol×K | 709.16 | Joback Calculated Property |
| Cp,gas | 555.85 | J/mol×K | 741.02 | Joback Calculated Property |
| Cp,gas | 569.46 | J/mol×K | 772.88 | Joback Calculated Property |
| Cp,gas | 582.63 | J/mol×K | 804.74 | Joback Calculated Property |
| Cp,gas | 595.46 | J/mol×K | 836.61 | Joback Calculated Property |
| Cp,gas | 608.02 | J/mol×K | 868.47 | Joback Calculated Property |
| Cp,gas | 620.41 | J/mol×K | 900.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol.
Sources
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