- InChI
- InChI=1S/C12H20O4/c1-3-5-6-10-16-12(14)9-7-8-11(13)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+
- InChI Key
- CPSHKWKXPJRLKT-AATRIKPKSA-N
- Formula
- C12H20O4
- SMILES
- CC/C=C/COC(=O)CCCC(=O)OCC
- Molecular Weight1
- 228.29
- 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 | 0.6545 | Relay (1.0) Calculated Property | |
| ΔfG° | -490.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -807.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 1877.28 | kPa | Joback Calculated Property |
| Inp | 1552.00 | NIST | |
| Tboil | 533.33 | K | Relay (1.0) Calculated Property |
| Tc | 708.60 | K | Relay (1.0) Calculated Property |
| Tfus | 229.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.72; 624.06] | 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 | 2.86160e+01 | |||
| Coefficient B | 1.05424e+00 | |||
| Coefficient C | -5.23600e-04 | |||
| Coefficient D | 6.48000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 278.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 338.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 393.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 441.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 484.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 522.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 554.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 582.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 605.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 624.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036635; 0.0001563] | Pa×s | [304.58; 541.47] |
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 | -1.28194e+01 | |||
| Coefficient B | 2.19604e+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. | 304.58 | |||
| Temperature range, max. | 541.47 | |||
| η | 0.0036635 | Pa×s | 304.58 | Calculated Property |
| η | 0.0020645 | Pa×s | 330.90 | Calculated Property |
| η | 0.0012660 | Pa×s | 357.22 | Calculated Property |
| η | 0.0008303 | Pa×s | 383.54 | Calculated Property |
| η | 0.0005748 | Pa×s | 409.87 | Calculated Property |
| η | 0.0004160 | Pa×s | 436.19 | Calculated Property |
| η | 0.0003124 | Pa×s | 462.51 | Calculated Property |
| η | 0.0002419 | Pa×s | 488.83 | Calculated Property |
| η | 0.0001923 | Pa×s | 515.15 | Calculated Property |
| η | 0.0001563 | Pa×s | 541.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl pent-2-en-1-yl ester.
Sources
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