- InChI
- InChI=1S/C7H14O/c1-4-6-7(3,8)5-2/h4,8H,1,5-6H2,2-3H3
- InChI Key
- GBARKLJMQRUBKV-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- C=CCC(C)(O)CC
- Molecular Weight1
- 114.19
- CAS
- 1569-44-4
- Other Names
-
- 3-Methyl-5-hexen-3-ol
- Methylaethylallylcarbinol
- Methylethylallylcarbinol
- 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 | 0.5303 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.723 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3314.37 | kPa | Joback Calculated Property |
| Tboil | 408.62 | K | Relay (1.0) Calculated Property |
| Tc | 590.82 | K | Relay (1.0) Calculated Property |
| Tfus | 210.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.09; 292.33] | J/mol×K | [445.19; 618.51] | 
|
| Cp,gas | 234.09 | J/mol×K | 445.19 | Joback Calculated Property |
| Cp,gas | 245.12 | J/mol×K | 474.08 | Joback Calculated Property |
| Cp,gas | 255.60 | J/mol×K | 502.96 | Joback Calculated Property |
| Cp,gas | 265.53 | J/mol×K | 531.85 | Joback Calculated Property |
| Cp,gas | 274.94 | J/mol×K | 560.74 | Joback Calculated Property |
| Cp,gas | 283.87 | J/mol×K | 589.63 | Joback Calculated Property |
| Cp,gas | 292.33 | J/mol×K | 618.51 | Joback Calculated Property |
| η | [0.0002256; 0.0922078] | Pa×s | [230.13; 445.19] |
|
| η | 0.0922078 | Pa×s | 230.13 | Joback Calculated Property |
| η | 0.0172289 | Pa×s | 265.97 | Joback Calculated Property |
| η | 0.0047949 | Pa×s | 301.82 | Joback Calculated Property |
| η | 0.0017508 | Pa×s | 337.66 | Joback Calculated Property |
| η | 0.0007757 | Pa×s | 373.50 | Joback Calculated Property |
| η | 0.0003963 | Pa×s | 409.35 | Joback Calculated Property |
| η | 0.0002256 | Pa×s | 445.19 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.23; 202.66] | kPa | [299.15; 482.73] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40892e+01 | |||
| Coefficient B | -3.69927e+03 | |||
| Coefficient C | -6.12880e+01 | |||
| Temperature range, min. | 299.15 | |||
| Temperature range, max. | 482.73 | |||
| Pvap | 0.23 | kPa | 299.15 | Calculated Property |
| Pvap | 0.79 | kPa | 319.55 | Calculated Property |
| Pvap | 2.26 | kPa | 339.95 | Calculated Property |
| Pvap | 5.58 | kPa | 360.34 | Calculated Property |
| Pvap | 12.29 | kPa | 380.74 | Calculated Property |
| Pvap | 24.64 | kPa | 401.14 | Calculated Property |
| Pvap | 45.63 | kPa | 421.54 | Calculated Property |
| Pvap | 79.11 | kPa | 441.93 | Calculated Property |
| Pvap | 129.68 | kPa | 462.33 | Calculated Property |
| Pvap | 202.66 | kPa | 482.73 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexen-3-ol, 3-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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