- InChI
- InChI=1S/C6H12O/c1-3-4-6(2)5-7/h4,7H,3,5H2,1-2H3/b6-4+
- InChI Key
- KIKXGIRAIYTCRB-GQCTYLIASA-N
- Formula
- C6H12O
- SMILES
- CCC=C(C)CO
- Molecular Weight1
- 100.16
- CAS
- 1610-29-3
- Other Names
-
- 2-Methyl-2-penten-1-ol
- 2-Methyl-2-pentene-1-ol
- 2-methylpent-2-en-1-ol
- ω : Acentric Factor.
- 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).
- 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 | 0.5275 | Relay (1.0) Calculated Property | |
| ΔfG° | -65.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.335 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3695.46 | kPa | Joback Calculated Property |
| Tboil | 422.57 | K | Relay (1.0) Calculated Property |
| Tc | 604.31 | K | Relay (1.0) Calculated Property |
| Tfus | 217.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.343 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.73; 241.57] | J/mol×K | [432.90; 604.77] | 
|
| Cp,gas | 191.73 | J/mol×K | 432.90 | Joback Calculated Property |
| Cp,gas | 201.02 | J/mol×K | 461.54 | Joback Calculated Property |
| Cp,gas | 209.90 | J/mol×K | 490.19 | Joback Calculated Property |
| Cp,gas | 218.38 | J/mol×K | 518.83 | Joback Calculated Property |
| Cp,gas | 226.47 | J/mol×K | 547.48 | Joback Calculated Property |
| Cp,gas | 234.20 | J/mol×K | 576.12 | Joback Calculated Property |
| Cp,gas | 241.57 | J/mol×K | 604.77 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.36; 202.64] | kPa | [295.70; 452.28] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49590e+01 | |||
| Coefficient B | -3.81371e+03 | |||
| Coefficient C | -5.69790e+01 | |||
| Temperature range, min. | 295.70 | |||
| Temperature range, max. | 452.28 | |||
| Pvap | 0.36 | kPa | 295.70 | Calculated Property |
| Pvap | 1.07 | kPa | 313.10 | Calculated Property |
| Pvap | 2.76 | kPa | 330.50 | Calculated Property |
| Pvap | 6.36 | kPa | 347.89 | Calculated Property |
| Pvap | 13.32 | kPa | 365.29 | Calculated Property |
| Pvap | 25.79 | kPa | 382.69 | Calculated Property |
| Pvap | 46.70 | kPa | 400.09 | Calculated Property |
| Pvap | 79.86 | kPa | 417.48 | Calculated Property |
| Pvap | 129.96 | kPa | 434.88 | Calculated Property |
| Pvap | 202.64 | kPa | 452.28 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Penten-1-ol, 2-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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