- InChI
- InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5-
- InChI Key
- ASFYPVGAALGVNR-WAYWQWQTSA-N
- Formula
- C7H14O
- SMILES
- CCCCC=CCO
- Molecular Weight1
- 114.19
- CAS
- 22104-77-4
- Other Names
-
- 2-hepten-1-ol
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5928 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -267.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.725 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3280.28 | kPa | Joback Calculated Property |
| Inp | [1051.00; 1052.00] |
|
|
| Inp | 1051.00 | NIST | |
| Inp | 1052.00 | NIST | |
| I | [1308.00; 1308.00] |
|
|
| I | 1308.00 | NIST | |
| I | 1308.00 | NIST | |
| Tboil | 448.01 | K | Relay (1.0) Calculated Property |
| Tc | 630.27 | K | Relay (1.0) Calculated Property |
| Tfus | 217.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.48; 368.55] | 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 | -1.23660e+01 | |||
| Coefficient B | 7.22820e-01 | |||
| Coefficient C | -4.71200e-04 | |||
| Coefficient D | 1.29300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 152.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 190.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 223.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 252.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 278.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 301.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 321.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 338.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 354.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 368.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0712349; 0.0002210] | Pa×s | [224.39; 436.75] |
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 | -1.45202e+01 | |||
| Coefficient B | 2.66539e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 224.39 | |||
| Temperature range, max. | 436.75 | |||
| η | 0.0712349 | Pa×s | 224.39 | Calculated Property |
| η | 0.0230065 | Pa×s | 247.99 | Calculated Property |
| η | 0.0090427 | Pa×s | 271.58 | Calculated Property |
| η | 0.0041265 | Pa×s | 295.18 | Calculated Property |
| η | 0.0021150 | Pa×s | 318.77 | Calculated Property |
| η | 0.0011886 | Pa×s | 342.37 | Calculated Property |
| η | 0.0007195 | Pa×s | 365.96 | Calculated Property |
| η | 0.0004629 | Pa×s | 389.56 | Calculated Property |
| η | 0.0003132 | Pa×s | 413.15 | Calculated Property |
| η | 0.0002210 | Pa×s | 436.75 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [345.72; 476.87] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.59944e+01 | |||
| Coefficient B | -4.38019e+03 | |||
| Coefficient C | -6.68480e+01 | |||
| Temperature range, min. | 345.72 | |||
| Temperature range, max. | 476.87 | |||
| Pvap | 1.33 | kPa | 345.72 | Calculated Property |
| Pvap | 2.91 | kPa | 360.29 | Calculated Property |
| Pvap | 5.89 | kPa | 374.86 | Calculated Property |
| Pvap | 11.20 | kPa | 389.44 | Calculated Property |
| Pvap | 20.15 | kPa | 404.01 | Calculated Property |
| Pvap | 34.51 | kPa | 418.58 | Calculated Property |
| Pvap | 56.64 | kPa | 433.15 | Calculated Property |
| Pvap | 89.49 | kPa | 447.73 | Calculated Property |
| Pvap | 136.72 | kPa | 462.30 | Calculated Property |
| Pvap | 202.67 | kPa | 476.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptenol.
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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