- InChI
- InChI=1S/C8H14O2/c1-4-6-7(3)10-8(9)5-2/h4,7H,1,5-6H2,2-3H3
- InChI Key
- QTJLXWLLLXXECC-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- C=CCC(C)OC(=O)CC
- Molecular Weight1
- 142.20
- 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).
- 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° | -132.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.00 | Crippen Calculated Property | |
| logPoct/wat | 1.904 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2799.47 | kPa | Joback Calculated Property |
| Inp | [891.00; 929.00] |
|
|
| Inp | 902.00 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 926.00 | NIST | |
| I | [1196.00; 1225.00] |
|
|
| I | 1197.00 | NIST | |
| I | 1225.00 | NIST | |
| I | 1196.00 | NIST | |
| I | 1197.00 | NIST | |
| Tboil | 454.97 | K | Joback Calculated Property |
| Tc | 637.48 | K | Joback Calculated Property |
| Tfus | 235.32 | K | Joback Calculated Property |
| Vc | 0.482 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.19; 328.12] | J/mol×K | [454.97; 637.48] |
|
| Cp,gas | 263.19 | J/mol×K | 454.97 | Joback Calculated Property |
| Cp,gas | 275.17 | J/mol×K | 485.39 | Joback Calculated Property |
| Cp,gas | 286.67 | J/mol×K | 515.81 | Joback Calculated Property |
| Cp,gas | 297.72 | J/mol×K | 546.22 | Joback Calculated Property |
| Cp,gas | 308.30 | J/mol×K | 576.64 | Joback Calculated Property |
| Cp,gas | 318.44 | J/mol×K | 607.06 | Joback Calculated Property |
| Cp,gas | 328.12 | J/mol×K | 637.48 | Joback Calculated Property |
| η | [0.0002428; 0.0043324] | Pa×s | [235.32; 454.97] |
|
| η | 0.0043324 | Pa×s | 235.32 | Joback Calculated Property |
| η | 0.0019397 | Pa×s | 271.93 | Joback Calculated Property |
| η | 0.0010509 | Pa×s | 308.54 | Joback Calculated Property |
| η | 0.0006484 | Pa×s | 345.14 | Joback Calculated Property |
| η | 0.0004389 | Pa×s | 381.75 | Joback Calculated Property |
| η | 0.0003181 | Pa×s | 418.36 | Joback Calculated Property |
| η | 0.0002428 | Pa×s | 454.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 1-methyl-3-butenyl ester.
Sources
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