- InChI
- InChI=1S/C8H14O6/c1-12-5(4-6(9)13-2)7(10)8(11)14-3/h5,7,10H,4H2,1-3H3
- InChI Key
- BJOASXQKJRDION-UHFFFAOYSA-N
- Formula
- C8H14O6
- SMILES
- COC(=O)CC(OC)C(O)C(=O)OC
- Molecular Weight1
- 206.19
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.7191 | Relay (... Calculated Property | |
| ΔfG° | -698.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1110.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.82 | kJ/mol | Relay (... Calculated Property |
| IE | 10.20 | eV | Relay (... Calculated Property |
| log10WS | 0.62 | Relay (... Calculated Property | |
| logPoct/wat | -0.902 | Crippen Calculated Property | |
| McVol | 150.200 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Inp | 1435.00 | NIST | |
| Tboil | 524.79 | K | Relay (... Calculated Property |
| Tc | 711.27 | K | Relay (... Calculated Property |
| Tfus | 308.00 | K | Relay (... Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.46; 452.10] | J/mol×K | [648.74; 830.16] | 
|
| Cp,gas | 397.46 | J/mol×K | 648.74 | Joback Calculated Property |
| Cp,gas | 407.81 | J/mol×K | 678.98 | Joback Calculated Property |
| Cp,gas | 417.68 | J/mol×K | 709.21 | Joback Calculated Property |
| Cp,gas | 427.06 | J/mol×K | 739.45 | Joback Calculated Property |
| Cp,gas | 435.93 | J/mol×K | 769.69 | Joback Calculated Property |
| Cp,gas | 444.28 | J/mol×K | 799.92 | Joback Calculated Property |
| Cp,gas | 452.10 | J/mol×K | 830.16 | Joback Calculated Property |
| η | [0.0000436; 0.0026939] | Pa×s | [377.29; 648.74] |
|
| η | 0.0026939 | Pa×s | 377.29 | Joback Calculated Property |
| η | 0.0009380 | Pa×s | 422.53 | Joback Calculated Property |
| η | 0.0004005 | Pa×s | 467.77 | Joback Calculated Property |
| η | 0.0001987 | Pa×s | 513.01 | Joback Calculated Property |
| η | 0.0001105 | Pa×s | 558.26 | Joback Calculated Property |
| η | 0.0000670 | Pa×s | 603.50 | Joback Calculated Property |
| η | 0.0000436 | Pa×s | 648.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxy-3-methoxycarbonyl-pentanedioic acid dimethyl ester.
Sources
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