- InChI
- InChI=1S/C8H14O2/c1-6(2)5-8(9)10-7(3)4/h5,7H,1-4H3
- InChI Key
- QQVQBUXUAZCLLZ-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CC(C)=CC(=O)OC(C)C
- Molecular Weight1
- 142.20
- CAS
- 25859-51-2
- Other Names
-
- Isopropyl 3-methyl-2-butenoate
- 2-Butenoic acid, 3-methyl, 1-methylethyl ester
- Crotonic acid, 3-methyl-, isopropyl ester
- Isopropyl 3-methylbut-2-enoate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4411 | Relay (1.0) Calculated Property | |
| ΔfG° | -148.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -451.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.00 ± 0.20 | kJ/mol | NIST |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.904 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2844.44 | kPa | Joback Calculated Property |
| Inp | 940.00 | NIST | |
| Tboil | 409.82 | K | Relay (1.0) Calculated Property |
| Tc | 603.18 | K | Relay (1.0) Calculated Property |
| Tfus | 241.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.35; 330.09] | J/mol×K | [462.33; 653.28] | 
|
| Cp,gas | 263.35 | J/mol×K | 462.33 | Joback Calculated Property |
| Cp,gas | 275.79 | J/mol×K | 494.15 | Joback Calculated Property |
| Cp,gas | 287.69 | J/mol×K | 525.98 | Joback Calculated Property |
| Cp,gas | 299.05 | J/mol×K | 557.80 | Joback Calculated Property |
| Cp,gas | 309.90 | J/mol×K | 589.63 | Joback Calculated Property |
| Cp,gas | 320.24 | J/mol×K | 621.45 | Joback Calculated Property |
| Cp,gas | 330.09 | J/mol×K | 653.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl,2-butenoic acid, isopropyl ester.
Sources
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