- InChI
- InChI=1S/C7H12O/c1-4-5-6-7(2,3)8/h4-6,8H,1H2,2-3H3/b6-5+
- InChI Key
- ZWRDKAOHFSUWQC-AATRIKPKSA-N
- Formula
- C7H12O
- SMILES
- C=CC=CC(C)(C)O
- Molecular Weight1
- 112.17
- CAS
- 926-38-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.5217 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.499 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| Tboil | 404.08 | K | Relay (1.0) Calculated Property |
| Tc | 583.12 | K | Relay (1.0) Calculated Property |
| Tfus | 290.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.377 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.90; 272.82] | J/mol×K | [449.35; 630.97] | 
|
| Cp,gas | 217.90 | J/mol×K | 449.35 | Joback Calculated Property |
| Cp,gas | 228.54 | J/mol×K | 479.62 | Joback Calculated Property |
| Cp,gas | 238.54 | J/mol×K | 509.89 | Joback Calculated Property |
| Cp,gas | 247.93 | J/mol×K | 540.16 | Joback Calculated Property |
| Cp,gas | 256.75 | J/mol×K | 570.43 | Joback Calculated Property |
| Cp,gas | 265.03 | J/mol×K | 600.70 | Joback Calculated Property |
| Cp,gas | 272.82 | J/mol×K | 630.97 | Joback Calculated Property |
| η | [0.0001817; 0.0990503] | Pa×s | [225.05; 449.35] |
|
| η | 0.0990503 | Pa×s | 225.05 | Joback Calculated Property |
| η | 0.0164039 | Pa×s | 262.43 | Joback Calculated Property |
| η | 0.0042538 | Pa×s | 299.82 | Joback Calculated Property |
| η | 0.0014879 | Pa×s | 337.20 | Joback Calculated Property |
| η | 0.0006419 | Pa×s | 374.58 | Joback Calculated Property |
| η | 0.0003225 | Pa×s | 411.97 | Joback Calculated Property |
| η | 0.0001817 | Pa×s | 449.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Hexadien-2-ol, 2-methyl-.
Sources
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