- InChI
- InChI=1S/C10H14O4/c1-7(6-9(11)13-3)5-8(2)10(12)14-4/h5-6H,1-4H3/b7-6+,8-5+
- InChI Key
- QIRTYCZMBXBUDU-ZCOYIIAOSA-N
- Formula
- C10H14O4
- SMILES
- COC(=O)C=C(C)C=C(C)C(=O)OC
- Molecular Weight1
- 198.22
- 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 | 0.5535 | Relay (1.0) Calculated Property | |
| ΔfG° | -291.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.225 | Crippen Calculated Property | |
| McVol | 158.040 | ml/mol | McGowan Calculated Property |
| Pc | 2571.50 | kPa | Joback Calculated Property |
| Inp | [1272.00; 1272.00] |
|
|
| Inp | 1272.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Tboil | 515.44 | K | Relay (1.0) Calculated Property |
| Tc | 693.70 | K | Relay (1.0) Calculated Property |
| Tfus | 311.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.568 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.39; 441.17] | J/mol×K | [588.86; 790.04] |
|
| Cp,gas | 375.39 | J/mol×K | 588.86 | Joback Calculated Property |
| Cp,gas | 387.90 | J/mol×K | 622.39 | Joback Calculated Property |
| Cp,gas | 399.77 | J/mol×K | 655.92 | Joback Calculated Property |
| Cp,gas | 411.02 | J/mol×K | 689.45 | Joback Calculated Property |
| Cp,gas | 421.65 | J/mol×K | 722.98 | Joback Calculated Property |
| Cp,gas | 431.70 | J/mol×K | 756.51 | Joback Calculated Property |
| Cp,gas | 441.17 | J/mol×K | 790.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanedioic acid, 2,4-dimethyl, dimethyl ester.
Sources
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