- InChI
- InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2
- InChI Key
- UTGFOWQYZKTZTN-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- C=CCC(O)CC=C
- Molecular Weight1
- 112.17
- CAS
- 2883-45-6
- Other Names
-
- hepta-1,6-dien-4-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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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° | 44.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.13 | 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 | 3435.91 | kPa | Joback Calculated Property |
| Inp | 876.00 | NIST | |
| I | 1330.00 | NIST | |
| Tboil | 424.20 | K | NIST |
| Tc | 614.77 | K | Joback Calculated Property |
| Tfus | 210.95 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.43; 267.31] | J/mol×K | [444.66; 614.77] | 
|
| Cp,gas | 215.43 | J/mol×K | 444.66 | Joback Calculated Property |
| Cp,gas | 225.11 | J/mol×K | 473.01 | Joback Calculated Property |
| Cp,gas | 234.36 | J/mol×K | 501.36 | Joback Calculated Property |
| Cp,gas | 243.19 | J/mol×K | 529.72 | Joback Calculated Property |
| Cp,gas | 251.62 | J/mol×K | 558.07 | Joback Calculated Property |
| Cp,gas | 259.65 | J/mol×K | 586.42 | Joback Calculated Property |
| Cp,gas | 267.31 | J/mol×K | 614.77 | Joback Calculated Property |
| η | [0.0002092; 0.1349769] | Pa×s | [210.95; 444.66] |
|
| η | 0.1349769 | Pa×s | 210.95 | Joback Calculated Property |
| η | 0.0198157 | Pa×s | 249.90 | Joback Calculated Property |
| η | 0.0048808 | Pa×s | 288.85 | Joback Calculated Property |
| η | 0.0016772 | Pa×s | 327.81 | Joback Calculated Property |
| η | 0.0007231 | Pa×s | 366.76 | Joback Calculated Property |
| η | 0.0003664 | Pa×s | 405.71 | Joback Calculated Property |
| η | 0.0002092 | Pa×s | 444.66 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [323.32; 447.96] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59627e+01 | |||
| Coefficient B | -4.14225e+03 | |||
| Coefficient C | -5.90640e+01 | |||
| Temperature range, min. | 323.32 | |||
| Temperature range, max. | 447.96 | |||
| Pvap | 1.33 | kPa | 323.32 | Calculated Property |
| Pvap | 2.91 | kPa | 337.17 | Calculated Property |
| Pvap | 5.90 | kPa | 351.02 | Calculated Property |
| Pvap | 11.21 | kPa | 364.87 | Calculated Property |
| Pvap | 20.17 | kPa | 378.72 | Calculated Property |
| Pvap | 34.54 | kPa | 392.56 | Calculated Property |
| Pvap | 56.68 | kPa | 406.41 | Calculated Property |
| Pvap | 89.54 | kPa | 420.26 | Calculated Property |
| Pvap | 136.75 | kPa | 434.11 | Calculated Property |
| Pvap | 202.64 | kPa | 447.96 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Heptadien-4-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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