- InChI
- InChI=1S/C23H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-21-27-23(25)20-17-15-16-19-22(24)26-4-2/h3-21H2,1-2H3
- InChI Key
- WUNUSOGUFZGMLP-UHFFFAOYSA-N
- Formula
- C23H44O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCCC(=O)
OCC - Molecular Weight1
- 384.59
- 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 | 1.1425 | Relay (1.0) Calculated Property | |
| ΔfG° | -477.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1133.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.744 | Crippen Calculated Property | |
| McVol | 349.810 | ml/mol | McGowan Calculated Property |
| Pc | 856.97 | kPa | Joback Calculated Property |
| Inp | [2661.00; 2661.00] |
|
|
| Inp | 2661.00 | NIST | |
| Inp | 2661.00 | NIST | |
| Tboil | 629.62 | K | Relay (1.0) Calculated Property |
| Tc | 806.52 | K | Relay (1.0) Calculated Property |
| Tfus | 297.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.371 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.07; 1222.14] | 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 | 3.27990e+01 | |||
| Coefficient B | 2.07924e+00 | |||
| Coefficient C | -1.03820e-03 | |||
| Coefficient D | 1.48300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 526.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 645.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 752.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 848.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 934.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1010.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1076.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1133.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1182.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1222.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010148; 0.0000506] | Pa×s | [433.63; 721.83] |
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 | -1.44008e+01 | |||
| Coefficient B | 3.25556e+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. | 433.63 | |||
| Temperature range, max. | 721.83 | |||
| η | 0.0010148 | Pa×s | 433.63 | Calculated Property |
| η | 0.0006055 | Pa×s | 465.65 | Calculated Property |
| η | 0.0003862 | Pa×s | 497.67 | Calculated Property |
| η | 0.0002600 | Pa×s | 529.70 | Calculated Property |
| η | 0.0001832 | Pa×s | 561.72 | Calculated Property |
| η | 0.0001340 | Pa×s | 593.74 | Calculated Property |
| η | 0.0001012 | Pa×s | 625.76 | Calculated Property |
| η | 0.0000786 | Pa×s | 657.79 | Calculated Property |
| η | 0.0000624 | Pa×s | 689.81 | Calculated Property |
| η | 0.0000506 | Pa×s | 721.83 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, ethyl tetradecyl ester.
Sources
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