- InChI
- InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3
- InChI Key
- PZKFYTOLVRCMOA-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- C=CC(O)CCCC
- Molecular Weight1
- 114.19
- CAS
- 4938-52-7
- Other Names
-
- Hept-1-en-3-ol
- Heptene-1-ol-3
- NSC 93797
- 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° | -43.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.80 | 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 | 3272.78 | kPa | Joback Calculated Property |
| Inp | [857.00; 885.00] |
|
|
| Inp | 872.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 866.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 865.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 867.00 | NIST | |
| Inp | Outlier 885.00 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 870.00 | NIST | |
| I | [1302.00; 1362.00] |
|
|
| I | 1302.00 | NIST | |
| I | 1356.00 | NIST | |
| I | 1351.00 | NIST | |
| I | 1351.00 | NIST | |
| I | 1341.00 | NIST | |
| I | 1322.00 | NIST | |
| I | 1362.00 | NIST | |
| I | 1322.00 | NIST | |
| I | 1351.00 | NIST | |
| I | 1356.00 | NIST | |
| I | 1302.00 | NIST | |
| Tboil | 447.98 | K | Joback Calculated Property |
| Tc | 614.85 | K | Joback Calculated Property |
| Tfus | 212.71 | K | Joback Calculated Property |
| Vc | 0.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.57; 287.25] | J/mol×K | [447.98; 614.85] |
|
| Cp,gas | 231.57 | J/mol×K | 447.98 | Joback Calculated Property |
| Cp,gas | 241.86 | J/mol×K | 475.79 | Joback Calculated Property |
| Cp,gas | 251.73 | J/mol×K | 503.60 | Joback Calculated Property |
| Cp,gas | 261.19 | J/mol×K | 531.42 | Joback Calculated Property |
| Cp,gas | 270.26 | J/mol×K | 559.23 | Joback Calculated Property |
| Cp,gas | 278.94 | J/mol×K | 587.04 | Joback Calculated Property |
| Cp,gas | 287.25 | J/mol×K | 614.85 | Joback Calculated Property |
| η | [0.0002056; 0.1469952] | Pa×s | [212.71; 447.98] |
|
| η | 0.1469952 | Pa×s | 212.71 | Joback Calculated Property |
| η | 0.0209602 | Pa×s | 251.92 | Joback Calculated Property |
| η | 0.0050507 | Pa×s | 291.13 | Joback Calculated Property |
| η | 0.0017062 | Pa×s | 330.35 | Joback Calculated Property |
| η | 0.0007257 | Pa×s | 369.56 | Joback Calculated Property |
| η | 0.0003636 | Pa×s | 408.77 | Joback Calculated Property |
| η | 0.0002056 | Pa×s | 447.98 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.30; 202.63] | kPa | [299.15; 484.11] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37383e+01 | |||
| Coefficient B | -3.57362e+03 | |||
| Coefficient C | -6.00370e+01 | |||
| Temperature range, min. | 299.15 | |||
| Temperature range, max. | 484.11 | |||
| Pvap | 0.30 | kPa | 299.15 | Calculated Property |
| Pvap | 0.98 | kPa | 319.70 | Calculated Property |
| Pvap | 2.68 | kPa | 340.25 | Calculated Property |
| Pvap | 6.40 | kPa | 360.80 | Calculated Property |
| Pvap | 13.69 | kPa | 381.35 | Calculated Property |
| Pvap | 26.71 | kPa | 401.91 | Calculated Property |
| Pvap | 48.32 | kPa | 422.46 | Calculated Property |
| Pvap | 82.02 | kPa | 443.01 | Calculated Property |
| Pvap | 131.92 | kPa | 463.56 | Calculated Property |
| Pvap | 202.63 | kPa | 484.11 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hepten-3-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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