Chemical Properties of Glutaric acid, cyclohexylmethyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C19H22F4O4/c20-18-14(19(21,22)23)8-4-9-15(18)27-17(25)11-5-10-16(24)26-12-13-6-2-1-3-7-13/h4,8-9,13H,1-3,5-7,10-12H2

InChI Key

VLGZZWCFQQWZED-UHFFFAOYSA-N

Formula

C19H22F4O4

SMILES

O=C(CCCC(=O)Oc1cccc(C(F)(F)F)c1F)OCC1CCCCC1

Molecular Weight¹

390.37

• 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°	-1017.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1450.37	kJ/mol	Joback Calculated Property
ΔfusH°	40.54	kJ/mol	Joback Calculated Property
ΔvapH°	75.67	kJ/mol	Joback Calculated Property
log10WS	-5.92		Crippen Calculated Property
logPoct/wat	5.044		Crippen Calculated Property
McVol	265.910	ml/mol	McGowan Calculated Property
Pc	1473.62	kPa	Joback Calculated Property
Inp	[2288.00; 2288.00]
Inp	2288.00		NIST
Inp	2288.00		NIST
Tboil	836.74	K	Joback Calculated Property
Tc	1041.71	K	Joback Calculated Property
Tfus	511.83	K	Joback Calculated Property
Vc	1.034	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[843.97; 916.21]	J/mol×K	[836.74; 1041.71]
Cp,gas	843.97	J/mol×K	836.74	Joback Calculated Property
Cp,gas	858.97	J/mol×K	870.90	Joback Calculated Property
Cp,gas	872.73	J/mol×K	905.06	Joback Calculated Property
Cp,gas	885.30	J/mol×K	939.23	Joback Calculated Property
Cp,gas	896.71	J/mol×K	973.39	Joback Calculated Property
Cp,gas	906.99	J/mol×K	1007.55	Joback Calculated Property
Cp,gas	916.21	J/mol×K	1041.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

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