- InChI
- InChI=1S/C24H38O4/c1-2-3-4-5-6-13-20-27-23(25)18-11-8-12-19-24(26)28-21-14-17-22-15-9-7-10-16-22/h7,9-10,15-16H,2-6,8,11-14,17-21H2,1H3
- InChI Key
- JRNQFTSDHMPGQH-UHFFFAOYSA-N
- Formula
- C24H38O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)OCCCc1
ccccc1 - Molecular Weight1
- 390.56
- 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 | 1.1128 | Relay (1.0) Calculated Property | |
| ΔfG° | -357.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -907.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.017 | Crippen Calculated Property | |
| McVol | 340.140 | ml/mol | McGowan Calculated Property |
| Pc | 988.26 | kPa | Joback Calculated Property |
| Inp | [2985.00; 2985.00] |
|
|
| Inp | 2985.00 | NIST | |
| Inp | 2985.00 | NIST | |
| Tboil | 672.74 | K | Relay (1.0) Calculated Property |
| Tc | 859.75 | K | Relay (1.0) Calculated Property |
| Tfus | 290.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.290 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [490.03; 1155.20] | 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 | -2.01500e+00 | |||
| Coefficient B | 2.09532e+00 | |||
| Coefficient C | -1.12380e-03 | |||
| Coefficient D | 1.85700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 490.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 606.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 711.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 804.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 887.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 958.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1021.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1074.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1118.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1155.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006821; 0.0000433] | Pa×s | [471.32; 765.35] |
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 | -1.44684e+01 | |||
| Coefficient B | 3.38314e+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. | 471.32 | |||
| Temperature range, max. | 765.35 | |||
| η | 0.0006821 | Pa×s | 471.32 | Calculated Property |
| η | 0.0004283 | Pa×s | 503.99 | Calculated Property |
| η | 0.0002846 | Pa×s | 536.66 | Calculated Property |
| η | 0.0001982 | Pa×s | 569.33 | Calculated Property |
| η | 0.0001436 | Pa×s | 602.00 | Calculated Property |
| η | 0.0001075 | Pa×s | 634.67 | Calculated Property |
| η | 0.0000828 | Pa×s | 667.34 | Calculated Property |
| η | 0.0000654 | Pa×s | 700.01 | Calculated Property |
| η | 0.0000527 | Pa×s | 732.68 | Calculated Property |
| η | 0.0000433 | Pa×s | 765.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, octyl 3-phenylpropyl ester.
Sources
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