- InChI
- InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h6,8-9H,4-5H2,1-3H3/b7-6+
- InChI Key
- CVBRKUMLJLIZGY-VOTSOKGWSA-N
- Formula
- C8H16O
- SMILES
- CCC=C(C)C(O)CC
- Molecular Weight1
- 128.21
- CAS
- 81280-12-8
- Other Names
-
- 4-Methyl-4-hepten-3-ol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.5143 | Relay (1.0) Calculated Property | |
| ΔfG° | -51.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.114 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Tboil | 435.20 | K | Relay (1.0) Calculated Property |
| Tc | 617.65 | K | Relay (1.0) Calculated Property |
| Tfus | 227.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.453 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.37; 335.88] | J/mol×K | [478.22; 651.29] | 
|
| Cp,gas | 273.37 | J/mol×K | 478.22 | Joback Calculated Property |
| Cp,gas | 285.03 | J/mol×K | 507.07 | Joback Calculated Property |
| Cp,gas | 296.16 | J/mol×K | 535.91 | Joback Calculated Property |
| Cp,gas | 306.79 | J/mol×K | 564.76 | Joback Calculated Property |
| Cp,gas | 316.94 | J/mol×K | 593.60 | Joback Calculated Property |
| Cp,gas | 326.63 | J/mol×K | 622.45 | Joback Calculated Property |
| Cp,gas | 335.88 | J/mol×K | 651.29 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [345.72; 508.83] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39010e+01 | |||
| Coefficient B | -3.79641e+03 | |||
| Coefficient C | -6.68480e+01 | |||
| Temperature range, min. | 345.72 | |||
| Temperature range, max. | 508.83 | |||
| Pvap | 1.33 | kPa | 345.72 | Calculated Property |
| Pvap | 3.06 | kPa | 363.84 | Calculated Property |
| Pvap | 6.38 | kPa | 381.97 | Calculated Property |
| Pvap | 12.29 | kPa | 400.09 | Calculated Property |
| Pvap | 22.12 | kPa | 418.21 | Calculated Property |
| Pvap | 37.57 | kPa | 436.34 | Calculated Property |
| Pvap | 60.74 | kPa | 454.46 | Calculated Property |
| Pvap | 94.08 | kPa | 472.58 | Calculated Property |
| Pvap | 140.36 | kPa | 490.71 | Calculated Property |
| Pvap | 202.66 | kPa | 508.83 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hepten-3-ol, 4-methyl-.
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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