- InChI
- InChI=1S/C13H22O4/c1-11(10-13(15)17-3)8-6-4-5-7-9-12(14)16-2/h10H,4-9H2,1-3H3/b11-10+
- InChI Key
- CEDPILLAWZTJRS-ZHACJKMWSA-N
- Formula
- C13H22O4
- SMILES
- COC(=O)C=C(C)CCCCCCC(=O)OC
- Molecular Weight1
- 242.31
- 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 | 0.7399 | Relay (1.0) Calculated Property | |
| ΔfG° | -337.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -826.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.619 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1862.72 | kPa | Joback Calculated Property |
| Inp | [1730.00; 1730.00] |
|
|
| Inp | 1730.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Tboil | 550.90 | K | Relay (1.0) Calculated Property |
| Tc | 732.67 | K | Relay (1.0) Calculated Property |
| Tfus | 283.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.759 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.60; 624.98] | J/mol×K | [653.46; 838.08] |
|
| Cp,gas | 546.60 | J/mol×K | 653.46 | Joback Calculated Property |
| Cp,gas | 561.41 | J/mol×K | 684.23 | Joback Calculated Property |
| Cp,gas | 575.50 | J/mol×K | 715.00 | Joback Calculated Property |
| Cp,gas | 588.90 | J/mol×K | 745.77 | Joback Calculated Property |
| Cp,gas | 601.60 | J/mol×K | 776.54 | Joback Calculated Property |
| Cp,gas | 613.63 | J/mol×K | 807.31 | Joback Calculated Property |
| Cp,gas | 624.98 | J/mol×K | 838.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-dec-2-enedioic acid dimethyl ester, E.
Sources
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