- InChI
- InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
- InChI Key
- ZHDCHCTZRODSEN-HWKANZROSA-N
- Formula
- C7H12O2
- SMILES
- CC=CC(=O)OCCC
- Molecular Weight1
- 128.17
- CAS
- 10352-87-1
- Other Names
-
- 2-Butenoic acid, propyl ester
- Crotonic acid, propyl ester
- Propyl crotonate
- Propyl 2-butenoate
- 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 | -4026.30 ± 2.50 | kJ/mol | NIST |
| ΔfG° | -145.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -395.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -443.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 16.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [48.00; 48.00] | kJ/mol |
|
| ΔvapH° | 48.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 48.00 | kJ/mol | NIST |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3114.04 | kPa | Joback Calculated Property |
| Inp | [917.00; 922.00] |
|
|
| Inp | Outlier 922.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 917.00 | NIST | |
| Tboil | 440.01 | K | Joback Calculated Property |
| Tc | 625.03 | K | Joback Calculated Property |
| Tfus | 235.73 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.68; 280.80] | J/mol×K | [440.01; 625.03] |
|
| Cp,gas | 222.68 | J/mol×K | 440.01 | Joback Calculated Property |
| Cp,gas | 233.44 | J/mol×K | 470.85 | Joback Calculated Property |
| Cp,gas | 243.76 | J/mol×K | 501.68 | Joback Calculated Property |
| Cp,gas | 253.64 | J/mol×K | 532.52 | Joback Calculated Property |
| Cp,gas | 263.10 | J/mol×K | 563.36 | Joback Calculated Property |
| Cp,gas | 272.15 | J/mol×K | 594.20 | Joback Calculated Property |
| Cp,gas | 280.80 | J/mol×K | 625.03 | Joback Calculated Property |
| η | [0.0002208; 0.0029377] | Pa×s | [235.73; 440.01] |
|
| η | 0.0029377 | Pa×s | 235.73 | Joback Calculated Property |
| η | 0.0014537 | Pa×s | 269.78 | Joback Calculated Property |
| η | 0.0008422 | Pa×s | 303.82 | Joback Calculated Property |
| η | 0.0005447 | Pa×s | 337.87 | Joback Calculated Property |
| η | 0.0003815 | Pa×s | 371.92 | Joback Calculated Property |
| η | 0.0002837 | Pa×s | 405.96 | Joback Calculated Property |
| η | 0.0002208 | Pa×s | 440.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Butenoic acid propyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.