- InChI
- InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3,5-8H,1,4H2,2H3/b6-5+
- InChI Key
- CRFUBNRBRCLIIV-AATRIKPKSA-N
- Formula
- C7H12O
- SMILES
- C=CCC=CC(C)O
- Molecular Weight1
- 112.17
- 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° | 36.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -102.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.75 | kJ/mol | Joback Calculated Property |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 1.499 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Inp | 995.00 | NIST | |
| Tboil | 452.14 | K | Joback Calculated Property |
| Tc | 626.82 | K | Joback Calculated Property |
| Tfus | 207.63 | K | Joback Calculated Property |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.25; 267.82] | J/mol×K | [452.14; 626.82] | 
|
| Cp,gas | 215.25 | J/mol×K | 452.14 | Joback Calculated Property |
| Cp,gas | 225.15 | J/mol×K | 481.25 | Joback Calculated Property |
| Cp,gas | 234.57 | J/mol×K | 510.37 | Joback Calculated Property |
| Cp,gas | 243.52 | J/mol×K | 539.48 | Joback Calculated Property |
| Cp,gas | 252.03 | J/mol×K | 568.59 | Joback Calculated Property |
| Cp,gas | 260.12 | J/mol×K | 597.71 | Joback Calculated Property |
| Cp,gas | 267.82 | J/mol×K | 626.82 | Joback Calculated Property |
| η | [0.0001665; 0.1605046] | Pa×s | [207.63; 452.14] |
|
| η | 0.1605046 | Pa×s | 207.63 | Joback Calculated Property |
| η | 0.0199602 | Pa×s | 248.38 | Joback Calculated Property |
| η | 0.0044673 | Pa×s | 289.13 | Joback Calculated Property |
| η | 0.0014473 | Pa×s | 329.88 | Joback Calculated Property |
| η | 0.0006007 | Pa×s | 370.64 | Joback Calculated Property |
| η | 0.0002968 | Pa×s | 411.39 | Joback Calculated Property |
| η | 0.0001665 | Pa×s | 452.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,6-Heptadiene-2-ol.
Sources
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