- InChI
- InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h4-8H,1-3H3/b5-4-
- InChI Key
- WFRYPJOHULJNDS-SNAWJCMRSA-N
- Formula
- C7H14O
- SMILES
- C/C=C/C(O)C(C)C
- Molecular Weight1
- 114.19
- 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).
- 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 | 0.5117 | Relay (1.0) Calculated Property | |
| ΔfG° | -53.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.579 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3341.24 | kPa | Joback Calculated Property |
| Tboil | 419.15 | K | Relay (1.0) Calculated Property |
| Tc | 590.01 | K | Relay (1.0) Calculated Property |
| Tfus | 257.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.83; 289.71] | J/mol×K | [455.22; 630.28] | 
|
| Cp,gas | 231.83 | J/mol×K | 455.22 | Joback Calculated Property |
| Cp,gas | 242.66 | J/mol×K | 484.40 | Joback Calculated Property |
| Cp,gas | 252.98 | J/mol×K | 513.57 | Joback Calculated Property |
| Cp,gas | 262.83 | J/mol×K | 542.75 | Joback Calculated Property |
| Cp,gas | 272.22 | J/mol×K | 571.93 | Joback Calculated Property |
| Cp,gas | 281.17 | J/mol×K | 601.10 | Joback Calculated Property |
| Cp,gas | 289.71 | J/mol×K | 630.28 | Joback Calculated Property |
| η | [0.0001558; 0.5028417] | Pa×s | [194.39; 455.22] |
|
| η | 0.5028417 | Pa×s | 194.39 | Joback Calculated Property |
| η | 0.0382152 | Pa×s | 237.86 | Joback Calculated Property |
| η | 0.0064405 | Pa×s | 281.33 | Joback Calculated Property |
| η | 0.0017482 | Pa×s | 324.80 | Joback Calculated Property |
| η | 0.0006456 | Pa×s | 368.28 | Joback Calculated Property |
| η | 0.0002942 | Pa×s | 411.75 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 455.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Methyl-4-hexen-3-ol.
Sources
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