- InChI
- InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
- InChI Key
- HNVRRHSXBLFLIG-UHFFFAOYSA-N
- Formula
- C5H10O
- SMILES
- C=CC(C)(C)O
- Molecular Weight1
- 86.13
- CAS
- 115-18-4
- Other Names
-
- 1,1-Dimethyl-2-propen-1-ol
- 1,1-Dimethyl-2-propenol
- 1,1-Dimethyl-2-propenyl alcohol
- 1,1-Dimethylallyl alcohol
- 1-Buten-3-ol, 3-methyl-
- 2-Methyl but-3-ene-2-ol
- 2-Methyl-2-hydroxy-3-butene
- 2-Methyl-3-buten-2-yl alcohol
- 2-Methyl-3-butene-2-ol
- 2-Methylbut-3-en-2-ol
- 2-methyl-3-buten-2-ol
- 3-Hydroxy-3-methyl-1-butene
- 3-Hydroxy-3-methylbutene
- 3-Methyl-1-buten-3-ol
- 3-Methyl-1-butene-3-ol
- 3-Methyl-buten-(1)-ol-(3)
- CH2=CHC(CH3)2OH
- Dimethylvinylmethanol
- NSC 15977
- dimethylvinylcarbinol
- vinyldimethylcarbinol
- «alpha»,«alpha»-Dimethylallyl alcohol
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.5125 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3215.00 ± 0.90 | kJ/mol | NIST |
| ΔfG° | -54.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -181.70 ± 0.90 | kJ/mol | NIST |
| ΔfusH° | 0.17 | kJ/mol | Comprehensive study of the thermodynamic properties for 2-methyl-3-buten-2-ol |
| ΔvapH° | 48.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | NIST |
| logPoct/wat | 0.943 | Crippen Calculated Property | |
| McVol | 82.880 | ml/mol | McGowan Calculated Property |
| Pc | 4189.32 | kPa | Joback Calculated Property |
| Inp | [592.00; 629.00] |
|
|
| Inp | 606.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 603.20 | NIST | |
| Inp | 601.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 623.70 | NIST | |
| Inp | 602.00 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 602.00 | NIST | |
| Inp | 603.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | 597.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | Outlier 629.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 593.00 | NIST | |
| Ip | [1005.00; 1078.00] |
|
|
| Ip | 1036.00 | NIST | |
| Ip | 1025.00 | NIST | |
| Ip | 1037.00 | NIST | |
| Ip | 1031.00 | NIST | |
| Ip | 1031.00 | NIST | |
| Ip | 1037.00 | NIST | |
| Ip | 1031.00 | NIST | |
| Ip | 1038.00 | NIST | |
| Ip | 1051.00 | NIST | |
| Ip | 1022.00 | NIST | |
| Ip | 1021.00 | NIST | |
| Ip | 1035.00 | NIST | |
| Ip | 1040.00 | NIST | |
| Ip | 1040.00 | NIST | |
| Ip | 1036.00 | NIST | |
| Ip | 1026.00 | NIST | |
| Ip | 1027.00 | NIST | |
| Ip | 1026.00 | NIST | |
| Ip | 1046.00 | NIST | |
| Ip | 1060.00 | NIST | |
| Ip | 1026.00 | NIST | |
| Ip | 1028.00 | NIST | |
| Ip | 1051.00 | NIST | |
| Ip | 1036.00 | NIST | |
| Ip | Outlier 1008.00 | NIST | |
| Ip | 1064.00 | NIST | |
| Ip | 1058.00 | NIST | |
| Ip | 1043.00 | NIST | |
| Ip | 1041.00 | NIST | |
| Ip | Outlier 1075.00 | NIST | |
| Ip | Outlier 1005.00 | NIST | |
| Ip | 1016.00 | NIST | |
| Ip | 1038.00 | NIST | |
| Ip | 1063.00 | NIST | |
| Ip | 1048.00 | NIST | |
| Ip | 1064.00 | NIST | |
| Ip | 1064.00 | NIST | |
| Ip | 1064.00 | NIST | |
| Ip | 1048.00 | NIST | |
| Ip | Outlier 1078.00 | NIST | |
| Ip | 1048.00 | NIST | |
| Ip | 1035.00 | NIST | |
| Ip | 1044.00 | NIST | |
| Ip | 1055.00 | NIST | |
| Ip | 1023.00 | NIST | |
| Ip | 1020.00 | NIST | |
| Ip | 1037.00 | NIST | |
| Ip | 1038.00 | NIST | |
| Ip | 1040.00 | NIST | |
| Ip | 1064.00 | NIST | |
| Ip | 1044.00 | NIST | |
| Tboil | 371.70 | K | NIST |
| Tc | 537.50 | K | Relay (1.0) Calculated Property |
| Tfus | [230.15; 245.15] | K |
|
| Tfus | 245.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 234.15 ± 1.50 | K | NIST |
| Tfus | 230.15 ± 1.50 | K | NIST |
| Vc | 0.309 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [240.70; 241.20] | J/mol×K | [298.05; 298.05] |
|
| Cp,liquid | 241.20 | J/mol×K | 298.05 | NIST |
| Cp,liquid | 240.70 | J/mol×K | 298.05 | NIST |
| ΔvapH | 43.10 ± 0.10 | kJ/mol | 331.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.78; 268.91] | 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 | -2.38300e+01 | |||
| Coefficient B | 6.18640e-01 | |||
| Coefficient C | -4.73300e-04 | |||
| Coefficient D | 1.47400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 112.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 142.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 167.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 189.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 207.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 223.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 237.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 249.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 259.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 268.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0334267; 0.0003134] | Pa×s | [236.48; 402.62] |
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 | -1.47151e+01 | |||
| Coefficient B | 2.67621e+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. | 236.48 | |||
| Temperature range, max. | 402.62 | |||
| η | 0.0334267 | Pa×s | 236.48 | Calculated Property |
| η | 0.0147307 | Pa×s | 254.94 | Calculated Property |
| η | 0.0072512 | Pa×s | 273.40 | Calculated Property |
| η | 0.0039042 | Pa×s | 291.86 | Calculated Property |
| η | 0.0022628 | Pa×s | 310.32 | Calculated Property |
| η | 0.0013943 | Pa×s | 328.78 | Calculated Property |
| η | 0.0009045 | Pa×s | 347.24 | Calculated Property |
| η | 0.0006130 | Pa×s | 365.70 | Calculated Property |
| η | 0.0004313 | Pa×s | 384.16 | Calculated Property |
| η | 0.0003134 | Pa×s | 402.62 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [280.92; 427.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.34410e+01 | |||
| Coefficient B | -3.11014e+03 | |||
| Coefficient C | -4.44690e+01 | |||
| Temperature range, min. | 280.92 | |||
| Temperature range, max. | 427.04 | |||
| Pvap | 1.33 | kPa | 280.92 | Calculated Property |
| Pvap | 3.10 | kPa | 297.16 | Calculated Property |
| Pvap | 6.53 | kPa | 313.39 | Calculated Property |
| Pvap | 12.61 | kPa | 329.63 | Calculated Property |
| Pvap | 22.69 | kPa | 345.86 | Calculated Property |
| Pvap | 38.45 | kPa | 362.10 | Calculated Property |
| Pvap | 61.89 | kPa | 378.33 | Calculated Property |
| Pvap | 95.34 | kPa | 394.57 | Calculated Property |
| Pvap | 141.33 | kPa | 410.80 | Calculated Property |
| Pvap | 202.64 | kPa | 427.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-ol, 2-methyl-.
Mixtures
- 3-Buten-2-ol, 2-methyl- + Water
- Propane + 3-Buten-2-ol, 2-methyl-
- Propene + 3-Buten-2-ol, 2-methyl-
- Butane + 3-Buten-2-ol, 2-methyl-
- 3-Buten-2-ol, 2-methyl- + Isobutane
- 1-Butene + 3-Buten-2-ol, 2-methyl-
- 1-Propene, 2-methyl- + 3-Buten-2-ol, 2-methyl-
- 2-Butene, (E)- + 3-Buten-2-ol, 2-methyl-
- 2-Butene, (Z)- + 3-Buten-2-ol, 2-methyl-
- 1,3-Butadiene + 3-Buten-2-ol, 2-methyl-
- Dimethyl ether + 3-Buten-2-ol, 2-methyl-
- Ethyl Chloride + 3-Buten-2-ol, 2-methyl-
- Ethane, 1,1-difluoro- + 3-Buten-2-ol, 2-methyl-
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Comprehensive study of the thermodynamic properties for 2-methyl-3-buten-2-ol
- Henry s Law Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, 2-Methylpropane, 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1,3-Butadiene, Dimethyl Ether, Chloroethane, and 1,1-Difluoroethane in 2-Methyl-3-buten-2-ol and 3-Methyl-3-buten-1-ol
- Green Leaf Volatiles on Atmospheric Air/Water Interfaces: A Combined Experimental and Molecular Simulation Study
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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