- InChI
- InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3-4H,5H2,1-2H3/b4-3+
- InChI Key
- KJALUUCEMMPKAC-ONEGZZNKSA-N
- Formula
- C6H10O2
- SMILES
- CC=CCC(=O)OC
- Molecular Weight1
- 114.14
- CAS
- 818-58-6
- Other Names
-
- Methyl 3-pentenoate
- Methyl ester of 3-pentenoic acid
- methyl pent-3-enoate
- 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).
- 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° | -154.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.06 | kJ/mol | Joback Calculated Property |
| log10WS | -1.05 | Crippen Calculated Property | |
| logPoct/wat | 1.126 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Tboil | 417.13 | K | Joback Calculated Property |
| Tc | 603.73 | K | Joback Calculated Property |
| Tfus | 224.46 | K | Joback Calculated Property |
| Vc | 0.376 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.29; 235.63] | J/mol×K | [417.13; 603.73] | 
|
| Cp,gas | 184.29 | J/mol×K | 417.13 | Joback Calculated Property |
| Cp,gas | 193.78 | J/mol×K | 448.23 | Joback Calculated Property |
| Cp,gas | 202.88 | J/mol×K | 479.33 | Joback Calculated Property |
| Cp,gas | 211.61 | J/mol×K | 510.43 | Joback Calculated Property |
| Cp,gas | 219.98 | J/mol×K | 541.53 | Joback Calculated Property |
| Cp,gas | 227.98 | J/mol×K | 572.63 | Joback Calculated Property |
| Cp,gas | 235.63 | J/mol×K | 603.73 | Joback Calculated Property |
| η | [0.0002255; 0.0027763] | Pa×s | [224.46; 417.13] |
|
| η | 0.0027763 | Pa×s | 224.46 | Joback Calculated Property |
| η | 0.0014062 | Pa×s | 256.57 | Joback Calculated Property |
| η | 0.0008286 | Pa×s | 288.68 | Joback Calculated Property |
| η | 0.0005428 | Pa×s | 320.80 | Joback Calculated Property |
| η | 0.0003840 | Pa×s | 352.91 | Joback Calculated Property |
| η | 0.0002879 | Pa×s | 385.02 | Joback Calculated Property |
| η | 0.0002255 | Pa×s | 417.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentenoic acid, methyl ester.
Sources
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