- InChI
- InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-15-22-29-25(27)20-13-10-14-21-26(28)30-23-16-19-24-17-11-9-12-18-24/h9,11-12,17-18H,2-8,10,13-16,19-23H2,1H3
- InChI Key
- RUQKRSSQJDWQEK-UHFFFAOYSA-N
- Formula
- C26H42O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCC(=O)OCCC
c1ccccc1 - Molecular Weight1
- 418.61
- 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 | 1.1837 | Relay (1.0) Calculated Property | |
| ΔfG° | -340.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -950.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.797 | Crippen Calculated Property | |
| McVol | 368.320 | ml/mol | McGowan Calculated Property |
| Pc | 878.96 | kPa | Joback Calculated Property |
| Inp | [3187.00; 3187.00] |
|
|
| Inp | 3187.00 | NIST | |
| Inp | 3187.00 | NIST | |
| Tboil | 685.91 | K | Relay (1.0) Calculated Property |
| Tc | 873.48 | K | Relay (1.0) Calculated Property |
| Tfus | 296.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.400 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.46; 1258.39] | 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 | -3.83300e+00 | |||
| Coefficient B | 2.28532e+00 | |||
| Coefficient C | -1.23260e-03 | |||
| Coefficient D | 2.09500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 532.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 659.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 773.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 875.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 964.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1043.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1111.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1169.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1218.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1258.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005181; 0.0000319] | Pa×s | [493.86; 803.54] |
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 | -1.47970e+01 | |||
| Coefficient B | 3.57146e+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. | 493.86 | |||
| Temperature range, max. | 803.54 | |||
| η | 0.0005181 | Pa×s | 493.86 | Calculated Property |
| η | 0.0003235 | Pa×s | 528.27 | Calculated Property |
| η | 0.0002139 | Pa×s | 562.68 | Calculated Property |
| η | 0.0001484 | Pa×s | 597.09 | Calculated Property |
| η | 0.0001071 | Pa×s | 631.50 | Calculated Property |
| η | 0.0000800 | Pa×s | 665.90 | Calculated Property |
| η | 0.0000615 | Pa×s | 700.31 | Calculated Property |
| η | 0.0000484 | Pa×s | 734.72 | Calculated Property |
| η | 0.0000389 | Pa×s | 769.13 | Calculated Property |
| η | 0.0000319 | Pa×s | 803.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, decyl 3-phenylpropyl ester.
Sources
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