- InChI
- InChI=1S/C7H14O/c1-4-6-7(3,8)5-2/h5,8H,2,4,6H2,1,3H3
- InChI Key
- JNLMZYGDTPRAMM-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- C=CC(C)(O)CCC
- Molecular Weight1
- 114.19
- Other Names
-
- 1-Hexen-3-ol, 3-methyl-
- 3-Methyl-hexen-(1)-ol-(3)
- 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).
- 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 | 0.5537 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -245.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.74 | 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 | 405.15 ± 3.00 | K | NIST |
| Tc | 587.69 | K | Relay (1.0) Calculated Property |
| Tfus | 220.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.403 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.21; 372.09] | 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 | -2.56480e+01 | |||
| Coefficient B | 8.08640e-01 | |||
| Coefficient C | -5.82100e-04 | |||
| Coefficient D | 1.71200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 229.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 259.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 285.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 308.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 327.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 344.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 358.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 372.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0922078; 0.0002698] | Pa×s | [230.13; 433.15] |
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 | -1.48312e+01 | |||
| Coefficient B | 2.86453e+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. | 230.13 | |||
| Temperature range, max. | 433.15 | |||
| η | 0.0922078 | Pa×s | 230.13 | Calculated Property |
| η | 0.0303508 | Pa×s | 252.69 | Calculated Property |
| η | 0.0119861 | Pa×s | 275.25 | Calculated Property |
| η | 0.0054490 | Pa×s | 297.80 | Calculated Property |
| η | 0.0027680 | Pa×s | 320.36 | Calculated Property |
| η | 0.0015371 | Pa×s | 342.92 | Calculated Property |
| η | 0.0009179 | Pa×s | 365.48 | Calculated Property |
| η | 0.0005820 | Pa×s | 388.04 | Calculated Property |
| η | 0.0003880 | Pa×s | 410.60 | Calculated Property |
| η | 0.0002698 | Pa×s | 433.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-1-hexen-3-ol.
Sources
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