- InChI
- InChI=1S/C6H12O/c1-5(2)4-6(3)7/h6-7H,1,4H2,2-3H3
- InChI Key
- KPHPTSMXBAVNPX-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- C=C(C)CC(C)O
- Molecular Weight1
- 100.16
- CAS
- 2004-67-3
- Other Names
-
- 4-Methyl-4-penten-2-ol
- 4-methylpent-4-en-2-ol
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -60.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.65 | kJ/mol | Joback Calculated Property |
| log10WS | -1.56 | Crippen Calculated Property | |
| logPoct/wat | 1.333 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3686.49 | kPa | Joback Calculated Property |
| Tboil | 424.98 | K | Joback Calculated Property |
| Tc | 595.89 | K | Joback Calculated Property |
| Tfus | 187.48 | K | Joback Calculated Property |
| Vc | 0.366 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.18; 242.55] | J/mol×K | [424.98; 595.89] | 
|
| Cp,gas | 192.18 | J/mol×K | 424.98 | Joback Calculated Property |
| Cp,gas | 201.51 | J/mol×K | 453.46 | Joback Calculated Property |
| Cp,gas | 210.45 | J/mol×K | 481.95 | Joback Calculated Property |
| Cp,gas | 219.01 | J/mol×K | 510.43 | Joback Calculated Property |
| Cp,gas | 227.21 | J/mol×K | 538.92 | Joback Calculated Property |
| Cp,gas | 235.05 | J/mol×K | 567.40 | Joback Calculated Property |
| Cp,gas | 242.55 | J/mol×K | 595.89 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.63; 202.63] | kPa | [295.70; 455.23] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40577e+01 | |||
| Coefficient B | -3.50754e+03 | |||
| Coefficient C | -5.41990e+01 | |||
| Temperature range, min. | 295.70 | |||
| Temperature range, max. | 455.23 | |||
| Pvap | 0.63 | kPa | 295.70 | Calculated Property |
| Pvap | 1.69 | kPa | 313.43 | Calculated Property |
| Pvap | 4.03 | kPa | 331.15 | Calculated Property |
| Pvap | 8.63 | kPa | 348.88 | Calculated Property |
| Pvap | 16.95 | kPa | 366.60 | Calculated Property |
| Pvap | 30.97 | kPa | 384.33 | Calculated Property |
| Pvap | 53.22 | kPa | 402.05 | Calculated Property |
| Pvap | 86.77 | kPa | 419.78 | Calculated Property |
| Pvap | 135.22 | kPa | 437.50 | Calculated Property |
| Pvap | 202.63 | kPa | 455.23 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Penten-2-ol, 4-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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