- InChI
- InChI=1S/C8H12O6/c1-11-5(7(9)13-3)6(12-2)8(10)14-4/h1-4H3/b6-5+
- InChI Key
- INFWEJMOAFPDCK-AATRIKPKSA-N
- Formula
- C8H12O6
- SMILES
- COC(=O)C(OC)=C(OC)C(=O)OC
- Molecular Weight1
- 204.18
- 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 | 0.6991 | Relay (1.0) Calculated Property | |
| ΔfG° | -598.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -966.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.163 | Crippen Calculated Property | |
| McVol | 145.900 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Inp | 1413.00 | NIST | |
| Tboil | 530.46 | K | Relay (1.0) Calculated Property |
| Tc | 684.72 | K | Relay (1.0) Calculated Property |
| Tfus | 335.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.38; 409.17] | J/mol×K | [583.78; 778.93] | 
|
| Cp,gas | 349.38 | J/mol×K | 583.78 | Joback Calculated Property |
| Cp,gas | 360.51 | J/mol×K | 616.30 | Joback Calculated Property |
| Cp,gas | 371.20 | J/mol×K | 648.83 | Joback Calculated Property |
| Cp,gas | 381.44 | J/mol×K | 681.35 | Joback Calculated Property |
| Cp,gas | 391.19 | J/mol×K | 713.88 | Joback Calculated Property |
| Cp,gas | 400.44 | J/mol×K | 746.40 | Joback Calculated Property |
| Cp,gas | 409.17 | J/mol×K | 778.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl 2,3-dimethoxybutenedioate.
Sources
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