- InChI
- InChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3
- InChI Key
- SXSWMAUXEHKFGX-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- CC(C)C(C)CO
- Molecular Weight1
- 102.17
- CAS
- 19550-30-2
- Other Names
-
- (dl) 2,3-dimethyl-1-butanol
- 2,3-Dimethyl-1-butanol
- 2,3-Dimethylbutan-1-ol
- 2,3-Methylbutanol
- 2,3-dimethylbutanol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- Ip : Polar retention indices.
- γ : Surface Tension (N/m).
- 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 | 0.5520 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.39 | Aq. Solubility Prediction | |
| logPoct/wat | 1.271 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3517.91 | kPa | Joback Calculated Property |
| Inp | [823.90; 835.20] |
|
|
| Inp | 823.90 | NIST | |
| Inp | 825.10 | NIST | |
| Inp | 835.20 | NIST | |
| Inp | 823.90 | NIST | |
| Ip | [1290.00; 1291.00] |
|
|
| Ip | 1290.00 | NIST | |
| Ip | 1291.00 | NIST | |
| Ip | 1290.00 | NIST | |
| Tboil | [406.65; 422.15] | K |
|
| Tboil | 417.70 | K | NIST |
| Tboil | 422.15 ± 2.00 | K | NIST |
| Tboil | 417.65 ± 2.00 | K | NIST |
| Tboil | 418.15 ± 2.00 | K | NIST |
| Tboil | 415.15 ± 2.00 | K | NIST |
| Tboil | 409.65 ± 4.00 | K | NIST |
| Tboil | 406.65 ± 4.00 | K | NIST |
| Tc | 600.92 | K | Relay (1.0) Calculated Property |
| Tfus | 201.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [49.60; 51.40] | kJ/mol | [377.50; 397.50] |
|
| ΔvapH | 51.40 | kJ/mol | 377.50 | NIST |
| ΔvapH | 49.60 | kJ/mol | 397.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.64; 348.62] | 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 | -6.39000e-01 | |||
| Coefficient B | 6.19660e-01 | |||
| Coefficient C | -3.39400e-04 | |||
| Coefficient D | 6.90000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 210.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 238.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 262.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 284.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 304.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 348.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.6544822; 0.0002700] | Pa×s | [188.20; 417.47] |
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 | -1.46143e+01 | |||
| Coefficient B | 2.67063e+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. | 188.20 | |||
| Temperature range, max. | 417.47 | |||
| η | 0.6544822 | Pa×s | 188.20 | Calculated Property |
| η | 0.1205492 | Pa×s | 213.67 | Calculated Property |
| η | 0.0318390 | Pa×s | 239.15 | Calculated Property |
| η | 0.0108662 | Pa×s | 264.62 | Calculated Property |
| η | 0.0044791 | Pa×s | 290.10 | Calculated Property |
| η | 0.0021303 | Pa×s | 315.57 | Calculated Property |
| η | 0.0011322 | Pa×s | 341.05 | Calculated Property |
| η | 0.0006570 | Pa×s | 366.52 | Calculated Property |
| η | 0.0004092 | Pa×s | 392.00 | Calculated Property |
| η | 0.0002700 | Pa×s | 417.47 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [324.19; 436.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54263e+01 | |||
| Coefficient B | -3.43090e+03 | |||
| Coefficient C | -9.75580e+01 | |||
| Temperature range, min. | 324.19 | |||
| Temperature range, max. | 436.75 | |||
| Pvap | 1.33 | kPa | 324.19 | Calculated Property |
| Pvap | 2.94 | kPa | 336.70 | Calculated Property |
| Pvap | 6.00 | kPa | 349.20 | Calculated Property |
| Pvap | 11.45 | kPa | 361.71 | Calculated Property |
| Pvap | 20.60 | kPa | 374.22 | Calculated Property |
| Pvap | 35.21 | kPa | 386.72 | Calculated Property |
| Pvap | 57.59 | kPa | 399.23 | Calculated Property |
| Pvap | 90.57 | kPa | 411.74 | Calculated Property |
| Pvap | 137.57 | kPa | 424.24 | Calculated Property |
| Pvap | 202.63 | kPa | 436.75 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.03; 0.01] | N/m | [259.15; 391.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 5.33165e-02 | |||
| Coefficient B | -9.92000e-05 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 259.15 | |||
| Temperature range, max. | 391.15 | |||
| γ | 0.03 | N/m | 259.15 | Calculated Property |
| γ | 0.03 | N/m | 273.82 | Calculated Property |
| γ | 0.02 | N/m | 288.48 | Calculated Property |
| γ | 0.02 | N/m | 303.15 | Calculated Property |
| γ | 0.02 | N/m | 317.82 | Calculated Property |
| γ | 0.02 | N/m | 332.48 | Calculated Property |
| γ | 0.02 | N/m | 347.15 | Calculated Property |
| γ | 0.02 | N/m | 361.82 | Calculated Property |
| γ | 0.02 | N/m | 376.48 | Calculated Property |
| γ | 0.01 | N/m | 391.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanol, 2,3-dimethyl-.
Sources
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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