- InChI
- InChI=1S/C18H34O4/c1-11(2)17(12(3)4)21-15(19)9-10-16(20)22-18(13(5)6)14(7)8/h11-14,17-18H,9-10H2,1-8H3
- InChI Key
- YJCKWPXGDRTLCZ-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CC(C)C(OC(=O)CCC(=O)OC(C(C)C)C
(C)C)C(C)C - Molecular Weight1
- 314.46
- 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).
- 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 | -1061.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.17 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.214 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1198.96 | kPa | Joback Calculated Property |
| Inp | [1840.00; 1840.00] |
|
|
| Inp | 1840.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Tboil | 574.00 | K | Relay (1.0) Calculated Property |
| Tfus | 279.43 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [418.12; 967.41] | 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 | 2.72520e+01 | |||
| Coefficient B | 1.63976e+00 | |||
| Coefficient C | -7.85400e-04 | |||
| Coefficient D | 8.58000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 418.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 512.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 598.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 675.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 743.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 803.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 856.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 900.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 937.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 967.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0196890; 0.0000627] | Pa×s | [287.28; 636.21] |
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 | -1.44111e+01 | |||
| Coefficient B | 3.01168e+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. | 287.28 | |||
| Temperature range, max. | 636.21 | |||
| η | 0.0196890 | Pa×s | 287.28 | Calculated Property |
| η | 0.0056604 | Pa×s | 326.05 | Calculated Property |
| η | 0.0021210 | Pa×s | 364.82 | Calculated Property |
| η | 0.0009597 | Pa×s | 403.59 | Calculated Property |
| η | 0.0004990 | Pa×s | 442.36 | Calculated Property |
| η | 0.0002883 | Pa×s | 481.13 | Calculated Property |
| η | 0.0001808 | Pa×s | 519.90 | Calculated Property |
| η | 0.0001209 | Pa×s | 558.67 | Calculated Property |
| η | 0.0000852 | Pa×s | 597.44 | Calculated Property |
| η | 0.0000627 | Pa×s | 636.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(2,4-dimethylpent-3-yl) ester.
Sources
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