- InChI
- InChI=1S/C6H12O/c1-4-6(7)5(2)3/h6-7H,2,4H2,1,3H3
- InChI Key
- DHNPVHJGKASNBQ-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- C=C(C)C(O)CC
- Molecular Weight1
- 100.16
- CAS
- 2088-07-5
- Other Names
-
- 2-Methyl-1-penten-3-ol
- Propanol, 1-ethyl-2-methylene-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 9.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.333 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Inp | [776.00; 780.00] |
|
|
| Inp | 776.00 | NIST | |
| Inp | 780.00 | NIST | |
| Inp | 776.00 | NIST | |
| I | [1382.00; 1382.00] |
|
|
| I | 1382.00 | NIST | |
| I | 1382.00 | NIST | |
| Tboil | 404.81 | K | Relay (1.0) Calculated Property |
| Tc | 573.70 | K | Relay (1.0) Calculated Property |
| Tfus | 208.46 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.29; 319.30] | 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 | -1.63900e+00 | |||
| Coefficient B | 5.93640e-01 | |||
| Coefficient C | -3.61400e-04 | |||
| Coefficient D | 8.87000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 135.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 195.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 220.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 242.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 262.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 279.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 294.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 307.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 319.30 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Penten-3-ol, 2-methyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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