- InChI
- InChI=1S/C19H28O4/c1-16(2)15-23-19(21)12-8-4-7-11-18(20)22-14-13-17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3
- InChI Key
- LCVGRBJWJYIPJW-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CC(C)COC(=O)CCCCCC(=O)OCCc1ccc
cc1 - 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 | 0.9002 | Relay (1.0) Calculated Property | |
| ΔfG° | -248.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -810.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.922 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1466.85 | kPa | Joback Calculated Property |
| Inp | 2366.00 | NIST | |
| Tboil | 634.27 | K | Relay (1.0) Calculated Property |
| Tc | 818.91 | K | Relay (1.0) Calculated Property |
| Tfus | 279.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.010 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [820.24; 900.91] | J/mol×K | [812.94; 1013.68] | 
|
| Cp,gas | 820.24 | J/mol×K | 812.94 | Joback Calculated Property |
| Cp,gas | 836.40 | J/mol×K | 846.40 | Joback Calculated Property |
| Cp,gas | 851.44 | J/mol×K | 879.85 | Joback Calculated Property |
| Cp,gas | 865.38 | J/mol×K | 913.31 | Joback Calculated Property |
| Cp,gas | 878.26 | J/mol×K | 946.77 | Joback Calculated Property |
| Cp,gas | 890.09 | J/mol×K | 980.22 | Joback Calculated Property |
| Cp,gas | 900.91 | J/mol×K | 1013.68 | Joback Calculated Property |
| η | [0.0000572; 0.0008938] | Pa×s | [459.63; 812.94] |
|
| η | 0.0008938 | Pa×s | 459.63 | Joback Calculated Property |
| η | 0.0004358 | Pa×s | 518.51 | Joback Calculated Property |
| η | 0.0002460 | Pa×s | 577.40 | Joback Calculated Property |
| η | 0.0001544 | Pa×s | 636.28 | Joback Calculated Property |
| η | 0.0001048 | Pa×s | 695.17 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 754.05 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 812.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, isobutyl phenethyl ester.
Sources
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