- InChI
- InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
- InChI Key
- HEMJJKBWTPKOJG-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
-
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c
1 - Molecular Weight1
- 250.33
- CAS
- 25812-30-0
- Other Names
-
- 2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid
- 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid
- CI-719
- Lopid
- Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-
- Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)-
- 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).
- 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° | -199.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.12 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.573 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 2066.12 | kPa | Joback Calculated Property |
| Tboil | 744.48 | K | Joback Calculated Property |
| Tc | 943.39 | K | Joback Calculated Property |
| Tfus | 332.15 | K | Polymor... |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.27; 680.69] | J/mol×K | [744.48; 943.39] | 
|
| Cp,gas | 609.27 | J/mol×K | 744.48 | Joback Calculated Property |
| Cp,gas | 623.18 | J/mol×K | 777.63 | Joback Calculated Property |
| Cp,gas | 636.24 | J/mol×K | 810.78 | Joback Calculated Property |
| Cp,gas | 648.49 | J/mol×K | 843.94 | Joback Calculated Property |
| Cp,gas | 659.95 | J/mol×K | 877.09 | Joback Calculated Property |
| Cp,gas | 670.67 | J/mol×K | 910.24 | Joback Calculated Property |
| Cp,gas | 680.69 | J/mol×K | 943.39 | Joback Calculated Property |
| η | [0.0000235; 0.0008477] | Pa×s | [445.67; 744.48] |
|
| η | 0.0008477 | Pa×s | 445.67 | Joback Calculated Property |
| η | 0.0003453 | Pa×s | 495.47 | Joback Calculated Property |
| η | 0.0001657 | Pa×s | 545.27 | Joback Calculated Property |
| η | 0.0000899 | Pa×s | 595.08 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 644.88 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 694.68 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 744.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Gemfibrozil.
Sources
- Crippen Method
- Crippen Method
- Polymorphism of gemfibrozil: Investigation by thermal and spectroscopic methods
- Joback Method
- McGowan Method
- NIST Webbook
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