- InChI
- InChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3
- InChI Key
- IKECULIHBUCAKR-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- CC(C)C(C)(C)O
- Molecular Weight1
- 102.17
- CAS
- 594-60-5
- Other Names
-
- (CH3)2CHC(OH)(CH3)2
- 2,3-Dimethyl-2-butanol
- 2,3-dimethylbutan-2-ol
- Isopropyldimethylcarbinol
- Thexyl alcohol
- 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).
- 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).
- 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.
- 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 | 0.5354 | Relay (1.0) Calculated Property | |
| ΔfG° | -136.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -357.00 ± 0.59 | kJ/mol | NIST |
| ΔfH°liquid | -411.00 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 4.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [54.00; 54.02] | kJ/mol |
|
| ΔvapH° | 54.02 ± 0.84 | kJ/mol | NIST |
| ΔvapH° | 54.00 | kJ/mol | NIST |
| ΔvapH° | 54.00 ± 0.80 | kJ/mol | NIST |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.41 | Aq. Solubility Prediction | |
| logPoct/wat | 1.413 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3564.27 | kPa | Joback Calculated Property |
| Inp | [714.00; 725.00] |
|
|
| Inp | 715.20 | NIST | |
| Inp | 716.30 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 725.00 | NIST | |
| Ip | [1082.00; 1101.00] |
|
|
| Ip | 1100.00 | NIST | |
| Ip | 1101.00 | NIST | |
| Ip | 1082.00 | NIST | |
| Ip | 1082.00 | NIST | |
| Tboil | [389.65; 393.70] | K |
|
| Tboil | 393.70 | K | NIST |
| Tboil | 391.60 | K | NIST |
| Tboil | 393.65 ± 2.00 | K | NIST |
| Tboil | 391.00 ± 3.00 | K | NIST |
| Tboil | 389.65 ± 3.00 | K | NIST |
| Tboil | 391.45 ± 2.00 | K | NIST |
| Tboil | 391.55 ± 1.00 | K | NIST |
| Tboil | 391.55 ± 1.00 | K | NIST |
| Tboil | 391.65 ± 2.00 | K | NIST |
| Tboil | 393.15 ± 2.00 | K | NIST |
| Tboil | 391.15 ± 2.00 | K | NIST |
| Tboil | 393.15 ± 2.00 | K | NIST |
| Tboil | 393.15 ± 2.00 | K | NIST |
| Tboil | 390.15 ± 3.00 | K | NIST |
| Tboil | 389.65 ± 3.00 | K | NIST |
| Tboil | 393.65 ± 3.00 | K | NIST |
| Tc | 576.04 | K | Relay (1.0) Calculated Property |
| Tfus | [261.15; 262.75] | K |
|
| Tfus | 261.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 262.75 ± 0.20 | K | NIST |
| Tfus | 262.60 ± 0.30 | K | NIST |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [48.80; 49.10] | kJ/mol | [345.50; 349.50] |
|
| ΔvapH | 49.10 | kJ/mol | 345.50 | NIST |
| ΔvapH | 48.80 | kJ/mol | 349.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 337.70 | K | 11.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [143.49; 349.55] | 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 | -2.34300e+01 | |||
| Coefficient B | 7.39580e-01 | |||
| Coefficient C | -5.08000e-04 | |||
| Coefficient D | 1.41400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 143.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 213.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 242.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 266.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 288.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 306.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 322.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 336.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 349.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0173480; 0.0002812] | Pa×s | [262.17; 420.21] |
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 | -1.50143e+01 | |||
| Coefficient B | 2.87335e+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. | 262.17 | |||
| Temperature range, max. | 420.21 | |||
| η | 0.0173480 | Pa×s | 262.17 | Calculated Property |
| η | 0.0087185 | Pa×s | 279.73 | Calculated Property |
| η | 0.0047526 | Pa×s | 297.29 | Calculated Property |
| η | 0.0027722 | Pa×s | 314.85 | Calculated Property |
| η | 0.0017118 | Pa×s | 332.41 | Calculated Property |
| η | 0.0011094 | Pa×s | 349.97 | Calculated Property |
| η | 0.0007494 | Pa×s | 367.53 | Calculated Property |
| η | 0.0005247 | Pa×s | 385.09 | Calculated Property |
| η | 0.0003789 | Pa×s | 402.65 | Calculated Property |
| η | 0.0002812 | Pa×s | 420.21 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [300.02; 415.06] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41799e+01 | |||
| Coefficient B | -2.82134e+03 | |||
| Coefficient C | -9.69280e+01 | |||
| Temperature range, min. | 300.02 | |||
| Temperature range, max. | 415.06 | |||
| Pvap | 1.33 | kPa | 300.02 | Calculated Property |
| Pvap | 3.04 | kPa | 312.80 | Calculated Property |
| Pvap | 6.30 | kPa | 325.58 | Calculated Property |
| Pvap | 12.11 | kPa | 338.37 | Calculated Property |
| Pvap | 21.80 | kPa | 351.15 | Calculated Property |
| Pvap | 37.08 | kPa | 363.93 | Calculated Property |
| Pvap | 60.09 | kPa | 376.71 | Calculated Property |
| Pvap | 93.36 | kPa | 389.50 | Calculated Property |
| Pvap | 139.79 | kPa | 402.28 | Calculated Property |
| Pvap | 202.64 | kPa | 415.06 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanol, 2,3-dimethyl-.
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
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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