- InChI
- InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h5-8H,3-4H2,1-2H3/b6-5+
- InChI Key
- BOEWENCXVIMZRU-AATRIKPKSA-N
- Formula
- C7H14O
- SMILES
- CCCC=CC(C)O
- Molecular Weight1
- 114.19
- CAS
- 67077-39-8
- Other Names
-
- (3E)-3-Hepten-2-ol
- ( E)-3-Hepten-2-ol
- trans-3-Hepten-2-ol
- 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).
- 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° | -50.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.42 | kJ/mol | Joback Calculated Property |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 1.723 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3310.55 | kPa | Joback Calculated Property |
| Inp | [1090.00; 1090.00] |
|
|
| Inp | 1090.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Tboil | 455.46 | K | Joback Calculated Property |
| Tc | 626.76 | K | Joback Calculated Property |
| Tfus | 209.39 | K | Joback Calculated Property |
| Vc | 0.420 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.62; 288.05] | J/mol×K | [455.46; 626.76] |
|
| Cp,gas | 231.62 | J/mol×K | 455.46 | Joback Calculated Property |
| Cp,gas | 242.14 | J/mol×K | 484.01 | Joback Calculated Property |
| Cp,gas | 252.19 | J/mol×K | 512.56 | Joback Calculated Property |
| Cp,gas | 261.78 | J/mol×K | 541.11 | Joback Calculated Property |
| Cp,gas | 270.95 | J/mol×K | 569.66 | Joback Calculated Property |
| Cp,gas | 279.70 | J/mol×K | 598.21 | Joback Calculated Property |
| Cp,gas | 288.05 | J/mol×K | 626.76 | Joback Calculated Property |
| η | [0.0001634; 0.1747804] | Pa×s | [209.39; 455.46] |
|
| η | 0.1747804 | Pa×s | 209.39 | Joback Calculated Property |
| η | 0.0210963 | Pa×s | 250.40 | Joback Calculated Property |
| η | 0.0046173 | Pa×s | 291.41 | Joback Calculated Property |
| η | 0.0014702 | Pa×s | 332.43 | Joback Calculated Property |
| η | 0.0006019 | Pa×s | 373.44 | Joback Calculated Property |
| η | 0.0002941 | Pa×s | 414.45 | Joback Calculated Property |
| η | 0.0001634 | Pa×s | 455.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hepten-2-ol, (E)-.
Sources
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