- InChI
- InChI=1S/C19H28O4/c1-2-15-22-18(20)13-7-4-8-14-19(21)23-16-9-12-17-10-5-3-6-11-17/h3,5-6,10-11H,2,4,7-9,12-16H2,1H3
- InChI Key
- CAIBHFBKIJQJIE-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CCCOC(=O)CCCCCC(=O)OCCCc1ccccc
1 - Molecular Weight1
- 320.42
- 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 | 0.9300 | Relay (1.0) Calculated Property | |
| ΔfG° | -399.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -804.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.066 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1370.73 | kPa | Joback Calculated Property |
| Inp | 2439.00 | NIST | |
| Tboil | 639.45 | K | Relay (1.0) Calculated Property |
| Tc | 820.48 | K | Relay (1.0) Calculated Property |
| Tfus | 271.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.020 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.96; 897.25] | 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 | 2.53000e+00 | |||
| Coefficient B | 1.62032e+00 | |||
| Coefficient C | -8.51800e-04 | |||
| Coefficient D | 1.26200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 383.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 474.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 556.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 628.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 692.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 748.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 796.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 836.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 870.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 897.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012900; 0.0000837] | Pa×s | [414.97; 679.88] |
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 | -1.36713e+01 | |||
| Coefficient B | 2.91234e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 414.97 | |||
| Temperature range, max. | 679.88 | |||
| η | 0.0012900 | Pa×s | 414.97 | Calculated Property |
| η | 0.0008104 | Pa×s | 444.40 | Calculated Property |
| η | 0.0005394 | Pa×s | 473.84 | Calculated Property |
| η | 0.0003765 | Pa×s | 503.27 | Calculated Property |
| η | 0.0002735 | Pa×s | 532.71 | Calculated Property |
| η | 0.0002054 | Pa×s | 562.14 | Calculated Property |
| η | 0.0001587 | Pa×s | 591.58 | Calculated Property |
| η | 0.0001257 | Pa×s | 621.01 | Calculated Property |
| η | 0.0001017 | Pa×s | 650.45 | Calculated Property |
| η | 0.0000837 | Pa×s | 679.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3-phenylpropyl propyl ester.
Sources
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