- InChI
- InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3
- InChI Key
- NVGOATMUHKIQQG-UHFFFAOYSA-N
- Formula
- C5H10O
- SMILES
- C=CC(C)CO
- Molecular Weight1
- 86.13
- CAS
- 4516-90-9
- Other Names
-
- 2-Methyl-3-buten-1-ol
- 2-Methyl-3-butene-1-ol
- 2-Methyl-but-3-en-1-ol
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5153 | Relay (1.0) Calculated Property | |
| ΔfG° | -60.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.801 | Crippen Calculated Property | |
| McVol | 82.880 | ml/mol | McGowan Calculated Property |
| Pc | 4130.29 | kPa | Joback Calculated Property |
| Inp | [778.00; 778.00] |
|
|
| Inp | 778.00 | NIST | |
| Inp | 778.00 | NIST | |
| Tboil | 391.02 | K | Relay (1.0) Calculated Property |
| Tc | 563.60 | K | Relay (1.0) Calculated Property |
| Tfus | 174.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.288 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.14; 198.29] | J/mol×K | [402.22; 570.76] |
|
| Cp,gas | 155.14 | J/mol×K | 402.22 | Joback Calculated Property |
| Cp,gas | 163.12 | J/mol×K | 430.31 | Joback Calculated Property |
| Cp,gas | 170.77 | J/mol×K | 458.40 | Joback Calculated Property |
| Cp,gas | 178.10 | J/mol×K | 486.49 | Joback Calculated Property |
| Cp,gas | 185.13 | J/mol×K | 514.58 | Joback Calculated Property |
| Cp,gas | 191.86 | J/mol×K | 542.67 | Joback Calculated Property |
| Cp,gas | 198.29 | J/mol×K | 570.76 | Joback Calculated Property |
| η | [0.0002843; 0.2702616] | Pa×s | [190.17; 402.22] |
|
| η | 0.2702616 | Pa×s | 190.17 | Joback Calculated Property |
| η | 0.0351986 | Pa×s | 225.51 | Joback Calculated Property |
| η | 0.0079642 | Pa×s | 260.85 | Joback Calculated Property |
| η | 0.0025691 | Pa×s | 296.19 | Joback Calculated Property |
| η | 0.0010548 | Pa×s | 331.54 | Joback Calculated Property |
| η | 0.0005141 | Pa×s | 366.88 | Joback Calculated Property |
| η | 0.0002843 | Pa×s | 402.22 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 393.70 | K | 101.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [298.52; 416.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58989e+01 | |||
| Coefficient B | -3.87055e+03 | |||
| Coefficient C | -5.05850e+01 | |||
| Temperature range, min. | 298.52 | |||
| Temperature range, max. | 416.16 | |||
| Pvap | 1.33 | kPa | 298.52 | Calculated Property |
| Pvap | 2.91 | kPa | 311.59 | Calculated Property |
| Pvap | 5.91 | kPa | 324.66 | Calculated Property |
| Pvap | 11.24 | kPa | 337.73 | Calculated Property |
| Pvap | 20.22 | kPa | 350.80 | Calculated Property |
| Pvap | 34.62 | kPa | 363.88 | Calculated Property |
| Pvap | 56.78 | kPa | 376.95 | Calculated Property |
| Pvap | 89.65 | kPa | 390.02 | Calculated Property |
| Pvap | 136.83 | kPa | 403.09 | Calculated Property |
| Pvap | 202.63 | kPa | 416.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-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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