- InChI
- InChI=1S/C7H10O4/c1-11-7(10)5-3-2-4-6(8)9/h2,4H,3,5H2,1H3,(H,8,9)/b4-2+
- InChI Key
- HBZOSRCVWPAGOA-DUXPYHPUSA-N
- Formula
- C7H10O4
- SMILES
- COC(=O)CCC=CC(=O)O
- Molecular Weight1
- 158.15
- 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.
- 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° | -411.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.72 | kJ/mol | Joback Calculated Property |
| log10WS | -0.57 | Crippen Calculated Property | |
| logPoct/wat | 0.580 | Crippen Calculated Property | |
| McVol | 120.070 | ml/mol | McGowan Calculated Property |
| Pc | 3731.66 | kPa | Joback Calculated Property |
| Inp | 1287.00 | NIST | |
| Tboil | 586.06 | K | Joback Calculated Property |
| Tc | 770.92 | K | Joback Calculated Property |
| Tfus | 346.48 | K | Joback Calculated Property |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.10; 327.20] | J/mol×K | [586.06; 770.92] | 
|
| Cp,gas | 282.10 | J/mol×K | 586.06 | Joback Calculated Property |
| Cp,gas | 290.62 | J/mol×K | 616.87 | Joback Calculated Property |
| Cp,gas | 298.72 | J/mol×K | 647.68 | Joback Calculated Property |
| Cp,gas | 306.42 | J/mol×K | 678.49 | Joback Calculated Property |
| Cp,gas | 313.73 | J/mol×K | 709.30 | Joback Calculated Property |
| Cp,gas | 320.65 | J/mol×K | 740.11 | Joback Calculated Property |
| Cp,gas | 327.20 | J/mol×K | 770.92 | Joback Calculated Property |
| η | [0.0000927; 0.0044440] | Pa×s | [346.48; 586.06] |
|
| η | 0.0044440 | Pa×s | 346.48 | Joback Calculated Property |
| η | 0.0016709 | Pa×s | 386.41 | Joback Calculated Property |
| η | 0.0007546 | Pa×s | 426.34 | Joback Calculated Property |
| η | 0.0003905 | Pa×s | 466.27 | Joback Calculated Property |
| η | 0.0002242 | Pa×s | 506.20 | Joback Calculated Property |
| η | 0.0001396 | Pa×s | 546.13 | Joback Calculated Property |
| η | 0.0000927 | Pa×s | 586.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-hex-2-enedioic acid dimethyl ester, E.
Sources
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