- InChI
- InChI=1S/C13H24O4/c1-4-16-12(14)7-5-6-8-13(15)17-10-9-11(2)3/h11H,4-10H2,1-3H3
- InChI Key
- KFGVPPDQMGNYPH-UHFFFAOYSA-N
- Formula
- C13H24O4
- SMILES
- CCOC(=O)CCCCC(=O)OCCC(C)C
- Molecular Weight1
- 244.33
- 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 | 0.7532 | Relay (1.0) Calculated Property | |
| ΔfG° | -564.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -951.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.699 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1668.70 | kPa | Joback Calculated Property |
| Inp | 1621.00 | NIST | |
| Tboil | 545.98 | K | Relay (1.0) Calculated Property |
| Tc | 710.67 | K | Relay (1.0) Calculated Property |
| Tfus | 232.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.62; 706.77] | 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 | 4.02070e+01 | |||
| Coefficient B | 1.13516e+00 | |||
| Coefficient C | -4.97400e-04 | |||
| Coefficient D | 2.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 313.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 380.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 441.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 497.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 546.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 589.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 627.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 659.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 685.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 706.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049362; 0.0001615] | Pa×s | [305.93; 551.11] |
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 | -1.29985e+01 | |||
| Coefficient B | 2.35178e+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. | 305.93 | |||
| Temperature range, max. | 551.11 | |||
| η | 0.0049362 | Pa×s | 305.93 | Calculated Property |
| η | 0.0026328 | Pa×s | 333.17 | Calculated Property |
| η | 0.0015442 | Pa×s | 360.41 | Calculated Property |
| η | 0.0009762 | Pa×s | 387.66 | Calculated Property |
| η | 0.0006555 | Pa×s | 414.90 | Calculated Property |
| η | 0.0004623 | Pa×s | 442.14 | Calculated Property |
| η | 0.0003395 | Pa×s | 469.38 | Calculated Property |
| η | 0.0002579 | Pa×s | 496.62 | Calculated Property |
| η | 0.0002016 | Pa×s | 523.87 | Calculated Property |
| η | 0.0001615 | Pa×s | 551.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, ethyl 3-methylbutyl ester.
Sources
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