- InChI
- InChI=1S/C7H10O5/c1-12-7(11)5(8)3-2-4-6(9)10/h2-4H2,1H3,(H,9,10)
- InChI Key
- YPGQZHZBRFDCNW-UHFFFAOYSA-N
- Formula
- C7H10O5
- SMILES
- COC(=O)C(=O)CCCC(=O)O
- Molecular Weight1
- 174.15
- 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 | 0.8040 | Relay (1.0) Calculated Property | |
| ΔfG° | -775.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -910.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.017 | Crippen Calculated Property | |
| McVol | 125.940 | ml/mol | McGowan Calculated Property |
| Pc | 3329.68 | kPa | Joback Calculated Property |
| Inp | 1281.00 | NIST | |
| Tboil | 536.03 | K | Relay (1.0) Calculated Property |
| Tc | 745.62 | K | Relay (1.0) Calculated Property |
| Tfus | 357.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.480 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.48; 361.49] | J/mol×K | [617.36; 816.57] | 
|
| Cp,gas | 314.48 | J/mol×K | 617.36 | Joback Calculated Property |
| Cp,gas | 323.67 | J/mol×K | 650.56 | Joback Calculated Property |
| Cp,gas | 332.30 | J/mol×K | 683.76 | Joback Calculated Property |
| Cp,gas | 340.40 | J/mol×K | 716.96 | Joback Calculated Property |
| Cp,gas | 347.95 | J/mol×K | 750.16 | Joback Calculated Property |
| Cp,gas | 354.98 | J/mol×K | 783.37 | Joback Calculated Property |
| Cp,gas | 361.49 | J/mol×K | 816.57 | Joback Calculated Property |
| η | [0.0002235; 0.0013348] | Pa×s | [421.51; 617.36] |
|
| η | 0.0013348 | Pa×s | 421.51 | Joback Calculated Property |
| η | 0.0008904 | Pa×s | 454.15 | Joback Calculated Property |
| η | 0.0006271 | Pa×s | 486.79 | Joback Calculated Property |
| η | 0.0004615 | Pa×s | 519.43 | Joback Calculated Property |
| η | 0.0003522 | Pa×s | 552.08 | Joback Calculated Property |
| η | 0.0002771 | Pa×s | 584.72 | Joback Calculated Property |
| η | 0.0002235 | Pa×s | 617.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxo-hexanedioic acid 1-methyl ester.
Sources
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