- 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; 1281.00] |
|
|
| Inp | 1281.00 | NIST | |
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.86; 388.37] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.38930e+01 | |||
| Coefficient B | 6.36820e-01 | |||
| Coefficient C | -3.16300e-04 | |||
| Coefficient D | 3.39600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 184.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 253.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 282.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 308.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 330.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 349.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 365.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 378.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 388.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013348; 0.0003041] | Pa×s | [421.51; 571.60] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.22521e+01 | |||
| Coefficient B | 2.37441e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 421.51 | |||
| Temperature range, max. | 571.60 | |||
| η | 0.0013348 | Pa×s | 421.51 | Calculated Property |
| η | 0.0010772 | Pa×s | 438.19 | Calculated Property |
| η | 0.0008832 | Pa×s | 454.86 | Calculated Property |
| η | 0.0007343 | Pa×s | 471.54 | Calculated Property |
| η | 0.0006182 | Pa×s | 488.22 | Calculated Property |
| η | 0.0005265 | Pa×s | 504.89 | Calculated Property |
| η | 0.0004530 | Pa×s | 521.57 | Calculated Property |
| η | 0.0003934 | Pa×s | 538.24 | Calculated Property |
| η | 0.0003446 | Pa×s | 554.92 | Calculated Property |
| η | 0.0003041 | Pa×s | 571.60 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxo-hexanedioic acid 1-methyl ester.
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