- InChI
- InChI=1S/C7H12O2/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4+
- InChI Key
- AABBHSMFGKYLKE-SNAWJCMRSA-N
- Formula
- C7H12O2
- SMILES
- CC=CC(=O)OC(C)C
- Molecular Weight1
- 128.17
- CAS
- 18060-77-0
- Other Names
-
- Crotonic acid, isopropyl ester
- Isopropyl crotonate
- Isopropyl 2-butenoate
- (E)-2-Butenoic acid isopropyl ester
- CH3CH=CHC(O)OCH(CH3)2
- Crotonic acid, isopropyl ester, trans
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ΔcH°liquid | -4012.50 ± 2.50 | kJ/mol | NIST |
| ΔfG° | -148.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -457.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 13.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [46.00; 46.00] | kJ/mol |
|
| ΔvapH° | 46.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 46.00 | kJ/mol | NIST |
| log10WS | -1.58 | Crippen Calculated Property | |
| logPoct/wat | 1.514 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Inp | [863.00; 864.00] |
|
|
| Inp | 864.00 | NIST | |
| Inp | 863.00 | NIST | |
| Inp | 863.00 | NIST | |
| Inp | 863.00 | NIST | |
| Tboil | 439.57 | K | Joback Calculated Property |
| Tc | 628.84 | K | Joback Calculated Property |
| Tfus | 220.73 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.78; 282.49] | J/mol×K | [439.57; 628.84] |
|
| Cp,gas | 222.78 | J/mol×K | 439.57 | Joback Calculated Property |
| Cp,gas | 233.88 | J/mol×K | 471.11 | Joback Calculated Property |
| Cp,gas | 244.50 | J/mol×K | 502.66 | Joback Calculated Property |
| Cp,gas | 254.66 | J/mol×K | 534.20 | Joback Calculated Property |
| Cp,gas | 264.37 | J/mol×K | 565.75 | Joback Calculated Property |
| Cp,gas | 273.65 | J/mol×K | 597.29 | Joback Calculated Property |
| Cp,gas | 282.49 | J/mol×K | 628.84 | Joback Calculated Property |
| η | [0.0002111; 0.0044540] | Pa×s | [220.73; 439.57] |
|
| η | 0.0044540 | Pa×s | 220.73 | Joback Calculated Property |
| η | 0.0018688 | Pa×s | 257.20 | Joback Calculated Property |
| η | 0.0009729 | Pa×s | 293.68 | Joback Calculated Property |
| η | 0.0005850 | Pa×s | 330.15 | Joback Calculated Property |
| η | 0.0003893 | Pa×s | 366.62 | Joback Calculated Property |
| η | 0.0002788 | Pa×s | 403.10 | Joback Calculated Property |
| η | 0.0002111 | Pa×s | 439.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 1-methylethyl ester.
Sources
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