- InChI
- InChI=1S/C21H40O4/c1-5-7-10-14-18(3)24-20(22)16-12-9-13-17-21(23)25-19(4)15-11-8-6-2/h18-19H,5-17H2,1-4H3
- InChI Key
- NJMOGFSAZSTGIJ-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCC(C)OC(=O)CCCCCC(=O)OC(C)
CCCCC - Molecular Weight1
- 356.54
- 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 | 1.0024 | Relay (1.0) Calculated Property | |
| ΔfG° | -499.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1136.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.961 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 971.70 | kPa | Joback Calculated Property |
| Inp | [2237.00; 2237.00] |
|
|
| Inp | 2237.00 | NIST | |
| Inp | 2237.00 | NIST | |
| Tboil | 595.32 | K | Relay (1.0) Calculated Property |
| Tc | 775.88 | K | Relay (1.0) Calculated Property |
| Tfus | 260.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.238 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.02; 1120.03] | 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 | 3.12530e+01 | |||
| Coefficient B | 1.90108e+00 | |||
| Coefficient C | -9.35800e-04 | |||
| Coefficient D | 1.23500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 483.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 592.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 690.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 779.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 858.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 927.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 988.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1040.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1083.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1120.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022441; 0.0000582] | Pa×s | [381.09; 684.07] |
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 | -1.43465e+01 | |||
| Coefficient B | 3.14288e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 381.09 | |||
| Temperature range, max. | 684.07 | |||
| η | 0.0022441 | Pa×s | 381.09 | Calculated Property |
| η | 0.0011490 | Pa×s | 414.75 | Calculated Property |
| η | 0.0006505 | Pa×s | 448.42 | Calculated Property |
| η | 0.0003987 | Pa×s | 482.08 | Calculated Property |
| η | 0.0002605 | Pa×s | 515.75 | Calculated Property |
| η | 0.0001794 | Pa×s | 549.41 | Calculated Property |
| η | 0.0001289 | Pa×s | 583.08 | Calculated Property |
| η | 0.0000961 | Pa×s | 616.74 | Calculated Property |
| η | 0.0000738 | Pa×s | 650.41 | Calculated Property |
| η | 0.0000582 | Pa×s | 684.07 | Calculated Property |
Similar Compounds
Find more compounds similar to di-(1-Methylhexyl)pimelate.
Sources
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