- InChI
- InChI=1S/C8H14O2/c1-4-6-8(9)10-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+
- InChI Key
- KAKJZWSUVDRWQU-GQCTYLIASA-N
- Formula
- C8H14O2
- SMILES
- CC=CC(=O)OC(C)CC
- Molecular Weight1
- 142.20
- CAS
- 10371-45-6
- Other Names
-
- Crotonic acid, sec-butyl ester
- sec-Butyl Crotonate
- (E)-2-Butenoic acid 1-methylpropyl ester
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -4674.40 ± 1.70 | kJ/mol | NIST |
| ΔfH°gas | -443.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.904 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Tboil | 416.60 | K | Relay (1.0) Calculated Property |
| Tc | 612.73 | K | Relay (1.0) Calculated Property |
| Tfus | 212.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.58; 325.93] | J/mol×K | [444.58; 628.61] | 
|
| Cp,gas | 258.58 | J/mol×K | 444.58 | Joback Calculated Property |
| Cp,gas | 271.17 | J/mol×K | 475.25 | Joback Calculated Property |
| Cp,gas | 283.19 | J/mol×K | 505.92 | Joback Calculated Property |
| Cp,gas | 294.67 | J/mol×K | 536.59 | Joback Calculated Property |
| Cp,gas | 305.61 | J/mol×K | 567.27 | Joback Calculated Property |
| Cp,gas | 316.03 | J/mol×K | 597.94 | Joback Calculated Property |
| Cp,gas | 325.93 | J/mol×K | 628.61 | Joback Calculated Property |
| η | [0.0001911; 0.0100013] | Pa×s | [202.17; 444.58] |
|
| η | 0.0100013 | Pa×s | 202.17 | Joback Calculated Property |
| η | 0.0029854 | Pa×s | 242.57 | Joback Calculated Property |
| η | 0.0012586 | Pa×s | 282.97 | Joback Calculated Property |
| η | 0.0006584 | Pa×s | 323.38 | Joback Calculated Property |
| η | 0.0003977 | Pa×s | 363.78 | Joback Calculated Property |
| η | 0.0002657 | Pa×s | 404.18 | Joback Calculated Property |
| η | 0.0001911 | Pa×s | 444.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 1-methylpropyl ester, (E)-.
Sources
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