- InChI
- InChI=1S/C19H28O5/c1-15(2)13-23-18(20)7-5-4-6-8-19(21)24-14-16-9-11-17(22-3)12-10-16/h9-12,15H,4-8,13-14H2,1-3H3
- InChI Key
- HPTYNGMXZYHFII-UHFFFAOYSA-N
- Formula
- C19H28O5
- SMILES
-
COc1ccc(COC(=O)CCCCCC(=O)OCC(C
)C)cc1 - Molecular Weight1
- 336.42
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -363.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -837.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.56 | Crippen Calculated Property | |
| logPoct/wat | 3.888 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Pc | 1431.55 | kPa | Joback Calculated Property |
| Inp | 2514.00 | NIST | |
| Tboil | 840.34 | K | Joback Calculated Property |
| Tc | 1042.54 | K | Joback Calculated Property |
| Tfus | 494.38 | K | Joback Calculated Property |
| Vc | 1.052 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [848.69; 924.54] | J/mol×K | [840.34; 1042.54] | 
|
| Cp,gas | 848.69 | J/mol×K | 840.34 | Joback Calculated Property |
| Cp,gas | 864.27 | J/mol×K | 874.04 | Joback Calculated Property |
| Cp,gas | 878.66 | J/mol×K | 907.74 | Joback Calculated Property |
| Cp,gas | 891.88 | J/mol×K | 941.44 | Joback Calculated Property |
| Cp,gas | 903.93 | J/mol×K | 975.14 | Joback Calculated Property |
| Cp,gas | 914.81 | J/mol×K | 1008.84 | Joback Calculated Property |
| Cp,gas | 924.54 | J/mol×K | 1042.54 | Joback Calculated Property |
| η | [0.0000434; 0.0005184] | Pa×s | [494.38; 840.34] |
|
| η | 0.0005184 | Pa×s | 494.38 | Joback Calculated Property |
| η | 0.0002763 | Pa×s | 552.04 | Joback Calculated Property |
| η | 0.0001659 | Pa×s | 609.70 | Joback Calculated Property |
| η | 0.0001088 | Pa×s | 667.36 | Joback Calculated Property |
| η | 0.0000763 | Pa×s | 725.02 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 782.68 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 840.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, isobutyl 4-methoxybenzyl ester.
Sources
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