- InChI
- InChI=1S/C6H12O/c1-4-6(7)5(2)3/h4-7H,1H2,2-3H3
- InChI Key
- SZKVYEHTIWILMA-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- C=CC(O)C(C)C
- Molecular Weight1
- 100.16
- Other Names
-
- 4-methyl-1-penten-3-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).
- Inp : Non-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 | 0.5088 | Relay (1.0) Calculated Property | |
| ΔfG° | -54.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.189 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Inp | [704.00; 708.00] |
|
|
| Inp | 704.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 704.00 | NIST | |
| Tboil | 398.77 | K | Relay (1.0) Calculated Property |
| Tc | 562.63 | K | Relay (1.0) Calculated Property |
| Tfus | 217.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.344 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.83; 320.11] | 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 | -3.63000e+00 | |||
| Coefficient B | 5.99640e-01 | |||
| Coefficient C | -3.62300e-04 | |||
| Coefficient D | 8.64000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 134.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 166.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 195.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 220.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 243.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 263.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 280.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 295.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 308.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 320.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.5931093; 0.0002596] | Pa×s | [186.44; 417.50] |
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 | -1.44972e+01 | |||
| Coefficient B | 2.60547e+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. | 186.44 | |||
| Temperature range, max. | 417.50 | |||
| η | 0.5931093 | Pa×s | 186.44 | Calculated Property |
| η | 0.1092840 | Pa×s | 212.11 | Calculated Property |
| η | 0.0290133 | Pa×s | 237.79 | Calculated Property |
| η | 0.0099744 | Pa×s | 263.46 | Calculated Property |
| η | 0.0041450 | Pa×s | 289.13 | Calculated Property |
| η | 0.0019878 | Pa×s | 314.80 | Calculated Property |
| η | 0.0010650 | Pa×s | 340.48 | Calculated Property |
| η | 0.0006228 | Pa×s | 366.15 | Calculated Property |
| η | 0.0003907 | Pa×s | 391.82 | Calculated Property |
| η | 0.0002596 | Pa×s | 417.50 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Penten-3-ol, 4-methyl-.
Sources
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