- InChI
- InChI=1S/C6H12O/c1-5(2)6(3,4)7/h7H,1H2,2-4H3
- InChI Key
- AWDLBZUXUNIODN-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- C=C(C)C(C)(C)O
- Molecular Weight1
- 100.16
- CAS
- 10473-13-9
- Other Names
-
- CH2=C(CH3)C(CH3)2OH
- 2,3-Dimethyl-3-buten-2-ol
- 2,3-Dimethyl-1-buten-3-ol
- 3-Hydroxy-2,3-dimethyl-1-butene
- 2,3-Dimethylbut-3-en-2-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).
- 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 | 0.4901 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.333 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3736.23 | kPa | Joback Calculated Property |
| Inp | [746.00; 746.00] |
|
|
| Inp | 746.00 | NIST | |
| Inp | 746.00 | NIST | |
| Tboil | 386.06 | K | Relay (1.0) Calculated Property |
| Tc | 570.95 | K | Relay (1.0) Calculated Property |
| Tfus | 227.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.15; 320.23] | 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 | -2.44300e+01 | |||
| Coefficient B | 7.13560e-01 | |||
| Coefficient C | -5.30000e-04 | |||
| Coefficient D | 1.61100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 134.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 198.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 224.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 246.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 265.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 282.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 296.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 308.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 320.23 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-ol, 2,3-dimethyl-.
Sources
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