Chemical Properties of Gemfibrozil (CAS 25812-30-0)

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)c1

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)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[611.91; 687.69]	J/mol×K	[744.14; 957.60]
Cp,gas	611.91	J/mol×K	744.14	Joback Calculated Property
Cp,gas	626.80	J/mol×K	779.72	Joback Calculated Property
Cp,gas	640.71	J/mol×K	815.29	Joback Calculated Property
Cp,gas	653.71	J/mol×K	850.87	Joback Calculated Property
Cp,gas	665.83	J/mol×K	886.45	Joback Calculated Property
Cp,gas	677.15	J/mol×K	922.03	Joback Calculated Property
Cp,gas	687.69	J/mol×K	957.60	Joback Calculated Property
η	[0.0000798; 0.0005218]	Pa×s	[495.52; 744.14]
η	0.0005218	Pa×s	495.52	Joback Calculated Property
η	0.0003382	Pa×s	536.96	Joback Calculated Property
η	0.0002332	Pa×s	578.39	Joback Calculated Property
η	0.0001690	Pa×s	619.83	Joback Calculated Property
η	0.0001275	Pa×s	661.27	Joback Calculated Property
η	0.0000995	Pa×s	702.70	Joback Calculated Property
η	0.0000798	Pa×s	744.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Gemfibrozil.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Polymorphism of gemfibrozil: Investigation by thermal and spectroscopic methods
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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