- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [806.69; 888.37] | J/mol×K | [777.44; 971.26] | 
|
| Cp,gas | 806.69 | J/mol×K | 777.44 | Joback Calculated Property |
| Cp,gas | 823.07 | J/mol×K | 809.74 | Joback Calculated Property |
| Cp,gas | 838.30 | J/mol×K | 842.05 | Joback Calculated Property |
| Cp,gas | 852.42 | J/mol×K | 874.35 | Joback Calculated Property |
| Cp,gas | 865.46 | J/mol×K | 906.65 | Joback Calculated Property |
| Cp,gas | 877.43 | J/mol×K | 938.95 | Joback Calculated Property |
| Cp,gas | 888.37 | J/mol×K | 971.26 | Joback Calculated Property |
| η | [0.0000489; 0.0012900] | Pa×s | [414.97; 777.44] |
|
| η | 0.0012900 | Pa×s | 414.97 | Joback Calculated Property |
| η | 0.0005287 | Pa×s | 475.38 | Joback Calculated Property |
| η | 0.0002650 | Pa×s | 535.79 | Joback Calculated Property |
| η | 0.0001528 | Pa×s | 596.20 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 656.62 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 717.03 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 777.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3-phenylpropyl propyl ester.
Sources
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