- 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° | 61.70 | 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 | 600.85 | K | Relay (1.0) Calculated Property |
| Tfus | 215.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.36; 371.16] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.85700e+00 | |||
| Coefficient B | 6.88720e-01 | |||
| Coefficient C | -4.13500e-04 | |||
| Coefficient D | 9.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 156.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 226.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 255.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 281.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 304.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 324.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 342.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 357.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 371.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1469952; 0.0002614] | Pa×s | [212.71; 430.59] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.44312e+01 | |||
| Coefficient B | 2.66181e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 212.71 | |||
| Temperature range, max. | 430.59 | |||
| η | 0.1469952 | Pa×s | 212.71 | Calculated Property |
| η | 0.0409240 | Pa×s | 236.92 | Calculated Property |
| η | 0.0144418 | Pa×s | 261.13 | Calculated Property |
| η | 0.0060817 | Pa×s | 285.34 | Calculated Property |
| η | 0.0029321 | Pa×s | 309.55 | Calculated Property |
| η | 0.0015714 | Pa×s | 333.75 | Calculated Property |
| η | 0.0009163 | Pa×s | 357.96 | Calculated Property |
| η | 0.0005721 | Pa×s | 382.17 | Calculated Property |
| η | 0.0003778 | Pa×s | 406.38 | Calculated Property |
| η | 0.0002614 | Pa×s | 430.59 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [326.12; 483.95] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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