- InChI
- InChI=1S/C25H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-25(27)22-19-17-18-21-24(26)28-4-2/h3-23H2,1-2H3
- InChI Key
- PNOMQOBLKBGGHE-UHFFFAOYSA-N
- Formula
- C25H48O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCC(=
O)OCC - Molecular Weight1
- 412.65
- 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 | 1.2128 | Relay (1.0) Calculated Property | |
| ΔfG° | -461.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1172.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.524 | Crippen Calculated Property | |
| McVol | 377.990 | ml/mol | McGowan Calculated Property |
| Pc | 768.19 | kPa | Joback Calculated Property |
| Inp | [2867.00; 2867.00] |
|
|
| Inp | 2867.00 | NIST | |
| Inp | 2867.00 | NIST | |
| Tboil | 642.80 | K | Relay (1.0) Calculated Property |
| Tc | 819.94 | K | Relay (1.0) Calculated Property |
| Tfus | 304.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.482 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.50; 1325.32] | 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 | 3.09810e+01 | |||
| Coefficient B | 2.26924e+00 | |||
| Coefficient C | -1.14700e-03 | |||
| Coefficient D | 1.72100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 568.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 697.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 814.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 919.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1012.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1094.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1166.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1228.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1281.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1325.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007626; 0.0000367] | Pa×s | [456.17; 762.45] |
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 | -1.47284e+01 | |||
| Coefficient B | 3.44388e+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. | 456.17 | |||
| Temperature range, max. | 762.45 | |||
| η | 0.0007626 | Pa×s | 456.17 | Calculated Property |
| η | 0.0004515 | Pa×s | 490.20 | Calculated Property |
| η | 0.0002861 | Pa×s | 524.23 | Calculated Property |
| η | 0.0001917 | Pa×s | 558.26 | Calculated Property |
| η | 0.0001345 | Pa×s | 592.30 | Calculated Property |
| η | 0.0000981 | Pa×s | 626.33 | Calculated Property |
| η | 0.0000739 | Pa×s | 660.36 | Calculated Property |
| η | 0.0000572 | Pa×s | 694.39 | Calculated Property |
| η | 0.0000454 | Pa×s | 728.42 | Calculated Property |
| η | 0.0000367 | Pa×s | 762.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, ethyl hexadecyl ester.
Sources
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