- InChI
- InChI=1S/C9H14O4/c1-7(6-9(11)13-3)4-5-8(10)12-2/h6H,4-5H2,1-3H3/b7-6-
- InChI Key
- TZZBSTDITUFGQX-SREVYHEPSA-N
- Formula
- C9H14O4
- SMILES
- COC(=O)C=C(C)CCC(=O)OC
- Molecular Weight1
- 186.21
- 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).
- 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° | -371.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.98 | kJ/mol | Joback Calculated Property |
| log10WS | -1.17 | Crippen Calculated Property | |
| logPoct/wat | 1.059 | Crippen Calculated Property | |
| McVol | 148.250 | ml/mol | McGowan Calculated Property |
| Pc | 2676.31 | kPa | Joback Calculated Property |
| Inp | 1278.00 | NIST | |
| Tboil | 561.94 | K | Joback Calculated Property |
| Tc | 754.41 | K | Joback Calculated Property |
| Tfus | 316.47 | K | Joback Calculated Property |
| Vc | 0.569 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.59; 412.90] | J/mol×K | [561.94; 754.41] | 
|
| Cp,gas | 348.59 | J/mol×K | 561.94 | Joback Calculated Property |
| Cp,gas | 360.64 | J/mol×K | 594.02 | Joback Calculated Property |
| Cp,gas | 372.16 | J/mol×K | 626.10 | Joback Calculated Property |
| Cp,gas | 383.14 | J/mol×K | 658.17 | Joback Calculated Property |
| Cp,gas | 393.58 | J/mol×K | 690.25 | Joback Calculated Property |
| Cp,gas | 403.50 | J/mol×K | 722.33 | Joback Calculated Property |
| Cp,gas | 412.90 | J/mol×K | 754.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-hex-2-enedioic acid dimethyl ester, Z.
Sources
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