- InChI
- InChI=1S/C19H28O5/c1-3-4-10-15-23-18(20)13-6-5-7-14-19(21)24-17-12-9-8-11-16(17)22-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3
- InChI Key
- XPFFDDRXYLQGQS-UHFFFAOYSA-N
- Formula
- C19H28O5
- SMILES
-
CCCCCOC(=O)CCCCCC(=O)Oc1ccccc1
OC - Molecular Weight1
- 336.42
- 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 | 1.0038 | Relay (1.0) Calculated Property | |
| ΔfG° | -360.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -924.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.284 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Pc | 1422.92 | kPa | Joback Calculated Property |
| Inp | 2558.00 | NIST | |
| Tboil | 633.15 | K | Relay (1.0) Calculated Property |
| Tc | 831.76 | K | Relay (1.0) Calculated Property |
| Tfus | 312.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.034 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [848.17; 923.73] | J/mol×K | [840.78; 1041.20] | 
|
| Cp,gas | 848.17 | J/mol×K | 840.78 | Joback Calculated Property |
| Cp,gas | 863.62 | J/mol×K | 874.18 | Joback Calculated Property |
| Cp,gas | 877.92 | J/mol×K | 907.59 | Joback Calculated Property |
| Cp,gas | 891.07 | J/mol×K | 940.99 | Joback Calculated Property |
| Cp,gas | 903.09 | J/mol×K | 974.39 | Joback Calculated Property |
| Cp,gas | 913.97 | J/mol×K | 1007.79 | Joback Calculated Property |
| Cp,gas | 923.73 | J/mol×K | 1041.20 | Joback Calculated Property |
| η | [0.0000474; 0.0004609] | Pa×s | [509.38; 840.78] |
|
| η | 0.0004609 | Pa×s | 509.38 | Joback Calculated Property |
| η | 0.0002620 | Pa×s | 564.61 | Joback Calculated Property |
| η | 0.0001648 | Pa×s | 619.85 | Joback Calculated Property |
| η | 0.0001118 | Pa×s | 675.08 | Joback Calculated Property |
| η | 0.0000804 | Pa×s | 730.31 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 785.55 | Joback Calculated Property |
| η | 0.0000474 | Pa×s | 840.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 2-methoxyphenyl pentyl ester.
Sources
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