- InChI
- InChI=1S/C7H12O3/c1-5(6(2)9-3)7(8)10-4/h1-4H3/b6-5+
- InChI Key
- BFLBTAHOAAXDNF-AATRIKPKSA-N
- Formula
- C7H12O3
- SMILES
- COC(=O)C(C)=C(C)OC
- Molecular Weight1
- 144.17
- CAS
- 82481-20-7
- 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).
- 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 | 0.4431 | Relay (... Calculated Property | |
| ΔfG° | -267.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.89 | kJ/mol | Relay (... Calculated Property |
| IE | 8.70 | eV | Relay (... Calculated Property |
| log10WS | -0.98 | Relay (... Calculated Property | |
| logPoct/wat | 1.100 | Crippen Calculated Property | |
| McVol | 118.500 | ml/mol | McGowan Calculated Property |
| Pc | 3089.85 | kPa | Joback Calculated Property |
| Tboil | 452.07 | K | Relay (... Calculated Property |
| Tc | 632.42 | K | Relay (... Calculated Property |
| Tfus | 258.04 | K | Relay (... Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.97; 304.32] | J/mol×K | [462.19; 653.57] | 
|
| Cp,gas | 244.97 | J/mol×K | 462.19 | Joback Calculated Property |
| Cp,gas | 255.87 | J/mol×K | 494.09 | Joback Calculated Property |
| Cp,gas | 266.36 | J/mol×K | 525.98 | Joback Calculated Property |
| Cp,gas | 276.45 | J/mol×K | 557.88 | Joback Calculated Property |
| Cp,gas | 286.14 | J/mol×K | 589.78 | Joback Calculated Property |
| Cp,gas | 295.43 | J/mol×K | 621.67 | Joback Calculated Property |
| Cp,gas | 304.32 | J/mol×K | 653.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 3-methoxy-2-methyl-, methyl ester, (Z)-.
Sources
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