- InChI
- InChI=1S/C7H14O2/c1-3-4-7(9)5-6(2)8/h3,6-9H,1,4-5H2,2H3
- InChI Key
- IKSZUZSICAXOHV-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- C=CCC(O)CC(C)O
- Molecular Weight1
- 130.18
- CAS
- 19781-76-1
- Other Names
-
- 6-Hepten-2,4-diol
- 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° | -182.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.09 | kJ/mol | Joback Calculated Property |
| log10WS | -1.36 | Crippen Calculated Property | |
| logPoct/wat | 0.694 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Inp | [927.00; 927.00] |
|
|
| Inp | 927.00 | NIST | |
| Inp | 927.00 | NIST | |
| Tboil | 539.72 | K | Joback Calculated Property |
| Tc | 704.59 | K | Joback Calculated Property |
| Tfus | 258.53 | K | Joback Calculated Property |
| Vc | 0.434 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.76; 329.98] | J/mol×K | [539.72; 704.59] |
|
| Cp,gas | 280.76 | J/mol×K | 539.72 | Joback Calculated Property |
| Cp,gas | 289.91 | J/mol×K | 567.20 | Joback Calculated Property |
| Cp,gas | 298.67 | J/mol×K | 594.68 | Joback Calculated Property |
| Cp,gas | 307.04 | J/mol×K | 622.16 | Joback Calculated Property |
| Cp,gas | 315.04 | J/mol×K | 649.64 | Joback Calculated Property |
| Cp,gas | 322.68 | J/mol×K | 677.12 | Joback Calculated Property |
| Cp,gas | 329.98 | J/mol×K | 704.59 | Joback Calculated Property |
| η | [0.0000564; 0.4158697] | Pa×s | [258.53; 539.72] |
|
| η | 0.4158697 | Pa×s | 258.53 | Joback Calculated Property |
| η | 0.0301816 | Pa×s | 305.39 | Joback Calculated Property |
| η | 0.0044020 | Pa×s | 352.26 | Joback Calculated Property |
| η | 0.0010090 | Pa×s | 399.12 | Joback Calculated Property |
| η | 0.0003152 | Pa×s | 445.99 | Joback Calculated Property |
| η | 0.0001229 | Pa×s | 492.86 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 539.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Heptene-2,4-diol.
Sources
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