- InChI
- InChI=1S/C12H22O4/c1-5-15-11(13)7-6-8-12(14)16-10(4)9(2)3/h9-10H,5-8H2,1-4H3
- InChI Key
- QDPMOQWJDAVKAG-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCOC(=O)CCCC(=O)OC(C)C(C)C
- Molecular Weight1
- 230.30
- 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 | 0.6765 | Relay (1.0) Calculated Property | |
| ΔfG° | -575.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.308 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1820.06 | kPa | Joback Calculated Property |
| Inp | [1511.00; 1511.00] |
|
|
| Inp | 1511.00 | NIST | |
| Inp | 1511.00 | NIST | |
| Tboil | 523.42 | K | Relay (1.0) Calculated Property |
| Tc | 693.76 | K | Relay (1.0) Calculated Property |
| Tfus | 243.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.734 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.09; 655.71] | 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 | 3.94340e+01 | |||
| Coefficient B | 1.04608e+00 | |||
| Coefficient C | -4.46200e-04 | |||
| Coefficient D | 1.64000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 292.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 354.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 411.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 462.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 507.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 548.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 583.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 612.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 636.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 655.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0083572; 0.0001627] | Pa×s | [279.66; 537.68] |
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 | -1.29926e+01 | |||
| Coefficient B | 2.29544e+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. | 279.66 | |||
| Temperature range, max. | 537.68 | |||
| η | 0.0083572 | Pa×s | 279.66 | Calculated Property |
| η | 0.0038959 | Pa×s | 308.33 | Calculated Property |
| η | 0.0020680 | Pa×s | 337.00 | Calculated Property |
| η | 0.0012123 | Pa×s | 365.67 | Calculated Property |
| η | 0.0007681 | Pa×s | 394.34 | Calculated Property |
| η | 0.0005177 | Pa×s | 423.01 | Calculated Property |
| η | 0.0003669 | Pa×s | 451.68 | Calculated Property |
| η | 0.0002709 | Pa×s | 480.35 | Calculated Property |
| η | 0.0002070 | Pa×s | 509.02 | Calculated Property |
| η | 0.0001627 | Pa×s | 537.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 3-methylbut-2-yl ester.
Sources
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