- InChI
- InChI=1S/C10H16O4/c1-8(7-10(12)14-3)5-4-6-9(11)13-2/h7H,4-6H2,1-3H3/b8-7-
- InChI Key
- TWMLHHSLTDYVBK-FPLPWBNLSA-N
- Formula
- C10H16O4
- SMILES
- COC(=O)C=C(C)CCCC(=O)OC
- Molecular Weight1
- 200.23
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6221 | Relay (1.0) Calculated Property | |
| ΔfG° | -362.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -768.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.449 | Crippen Calculated Property | |
| McVol | 162.340 | ml/mol | McGowan Calculated Property |
| Pc | 2429.05 | kPa | Joback Calculated Property |
| Inp | 1373.00 | NIST | |
| Tboil | 518.18 | K | Relay (1.0) Calculated Property |
| Tc | 696.63 | K | Relay (1.0) Calculated Property |
| Tfus | 277.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.595 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.67; 464.22] | J/mol×K | [584.82; 774.95] | 
|
| Cp,gas | 395.67 | J/mol×K | 584.82 | Joback Calculated Property |
| Cp,gas | 408.54 | J/mol×K | 616.51 | Joback Calculated Property |
| Cp,gas | 420.83 | J/mol×K | 648.20 | Joback Calculated Property |
| Cp,gas | 432.54 | J/mol×K | 679.88 | Joback Calculated Property |
| Cp,gas | 443.67 | J/mol×K | 711.57 | Joback Calculated Property |
| Cp,gas | 454.23 | J/mol×K | 743.26 | Joback Calculated Property |
| Cp,gas | 464.22 | J/mol×K | 774.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-hept-2-enedioic acid dimethyl ester, Z.
Sources
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