- InChI
- InChI=1S/C7H14O2/c1-5(2)6(3)9-7(4)8/h5-6H,1-4H3
- InChI Key
- ZLSXRPTWWRGMTJ-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CC(=O)OC(C)C(C)C
- Molecular Weight1
- 130.18
- CAS
- 5343-96-4
- Other Names
-
- 1,2-Dimethylpropyl acetate
- 1,2-Dimethylpropyl ethanoate
- 3-Methyl-2-butyl acetate
- Acetic acid, 1,2-dimethylpropyl ester
- Acetic acid, 3-methylbut-2-yl ester
- CH3C(O)OCH(CH3)CH(CH3)2
- DL-3-Methyl-2-butanol, acetate
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -230.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.56 | kJ/mol | Joback Calculated Property |
| log10WS | -1.49 | Crippen Calculated Property | |
| logPoct/wat | 1.594 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Inp | [811.00; 850.00] |
|
|
| Inp | 812.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 827.10 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 811.00 | NIST | |
| I | [1036.00; 1067.00] |
|
|
| I | 1067.00 | NIST | |
| I | 1036.00 | NIST | |
| I | 1064.00 | NIST | |
| Tboil | 434.97 | K | Joback Calculated Property |
| Tc | 619.42 | K | Joback Calculated Property |
| Tfus | 210.81 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.81; 303.21] | J/mol×K | [434.97; 619.42] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 240 250 260 270 280 290 300 450 500 550 600 | ||||
| Cp,gas | 238.81 | J/mol×K | 434.97 | Joback Calculated Property |
| Cp,gas | 250.59 | J/mol×K | 465.71 | Joback Calculated Property |
| Cp,gas | 261.96 | J/mol×K | 496.45 | Joback Calculated Property |
| Cp,gas | 272.90 | J/mol×K | 527.19 | Joback Calculated Property |
| Cp,gas | 283.42 | J/mol×K | 557.94 | Joback Calculated Property |
| Cp,gas | 293.53 | J/mol×K | 588.68 | Joback Calculated Property |
| Cp,gas | 303.21 | J/mol×K | 619.42 | Joback Calculated Property |
| η | [0.0002432; 0.0077039] | Pa×s | [210.81; 434.97] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 7.00e-3 8.00e-3 250 300 350 400 | ||||
| η | 0.0077039 | Pa×s | 210.81 | Joback Calculated Property |
| η | 0.0028076 | Pa×s | 248.17 | Joback Calculated Property |
| η | 0.0013326 | Pa×s | 285.53 | Joback Calculated Property |
| η | 0.0007515 | Pa×s | 322.89 | Joback Calculated Property |
| η | 0.0004773 | Pa×s | 360.25 | Joback Calculated Property |
| η | 0.0003301 | Pa×s | 397.61 | Joback Calculated Property |
| η | 0.0002432 | Pa×s | 434.97 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [300.42; 442.67] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40561e+01 | |||
| Coefficient B | -3.40924e+03 | |||
| Coefficient C | -5.28090e+01 | |||
| Temperature range, min. | 300.42 | |||
| Temperature range, max. | 442.67 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400 | ||||
| Pvap | 1.33 | kPa | 300.42 | Calculated Property |
| Pvap | 3.05 | kPa | 316.23 | Calculated Property |
| Pvap | 6.34 | kPa | 332.03 | Calculated Property |
| Pvap | 12.19 | kPa | 347.84 | Calculated Property |
| Pvap | 21.93 | kPa | 363.64 | Calculated Property |
| Pvap | 37.29 | kPa | 379.45 | Calculated Property |
| Pvap | 60.37 | kPa | 395.25 | Calculated Property |
| Pvap | 93.67 | kPa | 411.06 | Calculated Property |
| Pvap | 140.03 | kPa | 426.86 | Calculated Property |
| Pvap | 202.63 | kPa | 442.67 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanol, 3-methyl-, acetate.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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