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

InChI

InChI=1S/C16H19F3O4/c1-10-6-4-7-13(11(10)2)23-15(21)9-5-8-14(20)22-12(3)16(17,18)19/h4,6-7,12H,5,8-9H2,1-3H3

InChI Key

YMJGBUIJPFOVJP-UHFFFAOYSA-N

Formula

C16H19F3O4

SMILES

Cc1cccc(OC(=O)CCCC(=O)OC(C)C(F)(F)F)c1C

Molecular Weight¹

332.31

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7786		Relay (1.0) Calculated Property
ΔfG°	-874.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1429.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.34	kJ/mol	Joback Calculated Property
ΔvapH°	83.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-3.84		Relay (1.0) Calculated Property
logPoct/wat	3.873		Crippen Calculated Property
McVol	232.730	ml/mol	McGowan Calculated Property
Pc	1640.43	kPa	Joback Calculated Property
Inp	[1853.00; 1853.00]
Inp	1853.00		NIST
Inp	1853.00		NIST
Tboil	580.74	K	Relay (1.0) Calculated Property
Tc	764.50	K	Relay (1.0) Calculated Property
Tfus	321.38	K	Relay (1.0) Calculated Property
Vc	0.846	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[673.50; 743.49]	J/mol×K	[748.84; 942.76]
Cp,gas	673.50	J/mol×K	748.84	Joback Calculated Property
Cp,gas	687.38	J/mol×K	781.16	Joback Calculated Property
Cp,gas	700.34	J/mol×K	813.48	Joback Calculated Property
Cp,gas	712.41	J/mol×K	845.80	Joback Calculated Property
Cp,gas	723.61	J/mol×K	878.12	Joback Calculated Property
Cp,gas	733.96	J/mol×K	910.44	Joback Calculated Property
Cp,gas	743.49	J/mol×K	942.76	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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