- InChI
- InChI=1S/C8H14O4/c1-3-5(7(9)10)6(4-2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t5-,6+
- InChI Key
- KJXMXCRSMLOXBM-OLQVQODUSA-N
- Formula
- C8H14O4
- SMILES
-
CC[C@H](C(=O)O)[C@@H](CC)C(=O)
O - Molecular Weight1
- 174.20
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 | 0.7718 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4130.00 | kJ/mol | NIST |
| ΔfG° | -676.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -879.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.208 | Crippen Calculated Property | |
| McVol | 138.460 | ml/mol | McGowan Calculated Property |
| Pc | 3114.04 | kPa | Joback Calculated Property |
| Tboil | 516.45 | K | Relay (1.0) Calculated Property |
| Tc | 755.52 | K | Relay (1.0) Calculated Property |
| Tfus | 414.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.511 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.81; 454.69] | 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 | 1.45200e+00 | |||
| Coefficient B | 8.77240e-01 | |||
| Coefficient C | -5.63000e-04 | |||
| Coefficient D | 1.39000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 201.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 247.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 287.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 323.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 353.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 380.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 403.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 423.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 440.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 454.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009330; 0.0002472] | Pa×s | [471.12; 614.85] |
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 | -1.26598e+01 | |||
| Coefficient B | 2.67724e+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. | 471.12 | |||
| Temperature range, max. | 614.85 | |||
| η | 0.0009330 | Pa×s | 471.12 | Calculated Property |
| η | 0.0007744 | Pa×s | 487.09 | Calculated Property |
| η | 0.0006504 | Pa×s | 503.06 | Calculated Property |
| η | 0.0005522 | Pa×s | 519.03 | Calculated Property |
| η | 0.0004734 | Pa×s | 535.00 | Calculated Property |
| η | 0.0004095 | Pa×s | 550.97 | Calculated Property |
| η | 0.0003571 | Pa×s | 566.94 | Calculated Property |
| η | 0.0003137 | Pa×s | 582.91 | Calculated Property |
| η | 0.0002776 | Pa×s | 598.88 | Calculated Property |
| η | 0.0002472 | Pa×s | 614.85 | Calculated Property |
Similar Compounds
Find more compounds similar to Meso-2,3-diethylbutanedioic acid.
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