- InChI
- InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3,7-8H,1,4-6H2,2H3
- InChI Key
- XFXWEAWJVWCOBF-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- C=CCCC(O)CC
- Molecular Weight1
- 114.19
- CAS
- 19781-77-2
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5512 | Relay (1.0) Calculated Property | |
| ΔfG° | -43.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.723 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Tboil | 425.80 | K | Relay (1.0) Calculated Property |
| Tc | 599.71 | K | Relay (1.0) Calculated Property |
| Tfus | 217.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.401 | m3/kmol | Relay (1.0) 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 | [1.33; 202.64] | kPa | [326.12; 483.95] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37811e+01 | |||
| Coefficient B | -3.59039e+03 | |||
| Coefficient C | -6.00370e+01 | |||
| Temperature range, min. | 326.12 | |||
| Temperature range, max. | 483.95 | |||
| Pvap | 1.33 | kPa | 326.12 | Calculated Property |
| Pvap | 3.07 | kPa | 343.66 | Calculated Property |
| Pvap | 6.42 | kPa | 361.19 | Calculated Property |
| Pvap | 12.37 | kPa | 378.73 | Calculated Property |
| Pvap | 22.26 | kPa | 396.27 | Calculated Property |
| Pvap | 37.79 | kPa | 413.80 | Calculated Property |
| Pvap | 61.03 | kPa | 431.34 | Calculated Property |
| Pvap | 94.39 | kPa | 448.88 | Calculated Property |
| Pvap | 140.60 | kPa | 466.41 | Calculated Property |
| Pvap | 202.64 | kPa | 483.95 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Hepten-3-ol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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