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

InChI

InChI=1S/C18H22F4O4/c1-4-13(11(2)3)25-15(23)9-6-10-16(24)26-14-8-5-7-12(17(14)19)18(20,21)22/h5,7-8,11,13H,4,6,9-10H2,1-3H3

InChI Key

PLRCRKDTWWJUPS-UHFFFAOYSA-N

Formula

C18H22F4O4

SMILES

CCC(OC(=O)CCCC(=O)Oc1cccc(C(F)(F)F)c1F)C(C)C

Molecular Weight¹

378.36

• 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	0.8421		Relay (1.0) Calculated Property
ΔfG°	-1055.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1640.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.07	kJ/mol	Joback Calculated Property
ΔvapH°	84.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-4.87		Relay (1.0) Calculated Property
logPoct/wat	4.898		Crippen Calculated Property
McVol	262.680	ml/mol	McGowan Calculated Property
Pc	1373.78	kPa	Joback Calculated Property
Inp	[1963.00; 1963.00]
Inp	1963.00		NIST
Inp	1963.00		NIST
Tboil	597.84	K	Relay (1.0) Calculated Property
Tc	773.23	K	Relay (1.0) Calculated Property
Tfus	301.87	K	Relay (1.0) Calculated Property
Vc	0.955	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[793.40; 864.77]	J/mol×K	[793.43; 984.31]
Cp,gas	793.40	J/mol×K	793.43	Joback Calculated Property
Cp,gas	807.63	J/mol×K	825.24	Joback Calculated Property
Cp,gas	820.89	J/mol×K	857.06	Joback Calculated Property
Cp,gas	833.20	J/mol×K	888.87	Joback Calculated Property
Cp,gas	844.60	J/mol×K	920.69	Joback Calculated Property
Cp,gas	855.12	J/mol×K	952.50	Joback Calculated Property
Cp,gas	864.77	J/mol×K	984.31	Joback Calculated Property

Similar Compounds

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

Sources

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

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