Chemical Properties of Glutaric acid, 3,4-dimethylcyclohexyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C16H25F3O4/c1-10-7-8-13(9-11(10)2)23-15(21)6-4-5-14(20)22-12(3)16(17,18)19/h10-13H,4-9H2,1-3H3

InChI Key

RBZQFKVTZURINZ-UHFFFAOYSA-N

Formula

C16H25F3O4

SMILES

CC1CCC(OC(=O)CCCC(=O)OC(C)C(F)(F)F)CC1C

Molecular Weight¹

338.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-959.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1451.89	kJ/mol	Joback Calculated Property
ΔfusH°	35.05	kJ/mol	Joback Calculated Property
ΔvapH°	65.20	kJ/mol	Joback Calculated Property
log10WS	-4.54		Crippen Calculated Property
logPoct/wat	4.019		Crippen Calculated Property
McVol	245.630	ml/mol	McGowan Calculated Property
Pc	1444.64	kPa	Joback Calculated Property
Inp	[1737.00; 1737.00]
Inp	1737.00		NIST
Inp	1737.00		NIST
Tboil	722.41	K	Joback Calculated Property
Tc	909.80	K	Joback Calculated Property
Tfus	402.49	K	Joback Calculated Property
Vc	0.948	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[759.30; 850.82]	J/mol×K	[722.41; 909.80]
Cp,gas	759.30	J/mol×K	722.41	Joback Calculated Property
Cp,gas	777.29	J/mol×K	753.64	Joback Calculated Property
Cp,gas	794.16	J/mol×K	784.87	Joback Calculated Property
Cp,gas	809.93	J/mol×K	816.10	Joback Calculated Property
Cp,gas	824.62	J/mol×K	847.33	Joback Calculated Property
Cp,gas	838.24	J/mol×K	878.56	Joback Calculated Property
Cp,gas	850.82	J/mol×K	909.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,4-dimethylcyclohexyl 1,1,1-trifluoroprop-2-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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