- InChI
- InChI=1S/C12H20O4/c1-4-7-8-10(11(13)15-6-3)12(14)16-9-5-2/h4,10H,1,5-9H2,2-3H3
- InChI Key
- YZOLINQKIXIFPE-UHFFFAOYSA-N
- Formula
- C12H20O4
- SMILES
- C=CCCC(C(=O)OCC)C(=O)OCCC
- Molecular Weight1
- 228.29
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -816.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.68 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.085 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 1874.03 | kPa | Joback Calculated Property |
| Inp | [1338.00; 1338.00] |
|
|
| Inp | 1338.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Tboil | 530.19 | K | Relay (1.0) Calculated Property |
| Tc | 700.58 | K | Relay (1.0) Calculated Property |
| Tfus | 206.94 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.60; 626.67] | 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 | 3.81250e+01 | |||
| Coefficient B | 1.02014e+00 | |||
| Coefficient C | -4.65900e-04 | |||
| Coefficient D | 3.43000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 282.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 342.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 396.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 444.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 487.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 525.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 558.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 586.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 608.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 626.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052736; 0.0001775] | Pa×s | [292.90; 535.52] |
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 | -1.27304e+01 | |||
| Coefficient B | 2.19246e+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. | 292.90 | |||
| Temperature range, max. | 535.52 | |||
| η | 0.0052736 | Pa×s | 292.90 | Calculated Property |
| η | 0.0028062 | Pa×s | 319.86 | Calculated Property |
| η | 0.0016471 | Pa×s | 346.82 | Calculated Property |
| η | 0.0010440 | Pa×s | 373.77 | Calculated Property |
| η | 0.0007036 | Pa×s | 400.73 | Calculated Property |
| η | 0.0004984 | Pa×s | 427.69 | Calculated Property |
| η | 0.0003678 | Pa×s | 454.65 | Calculated Property |
| η | 0.0002808 | Pa×s | 481.61 | Calculated Property |
| η | 0.0002206 | Pa×s | 508.57 | Calculated Property |
| η | 0.0001775 | Pa×s | 535.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl 2-(But-3-enyl)propanedioate.
Sources
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