Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chloro-5-methylphenyl ester

InChI

InChI=1S/C15H16ClF3O4/c1-9-6-7-11(16)12(8-9)23-14(21)5-3-4-13(20)22-10(2)15(17,18)19/h6-8,10H,3-5H2,1-2H3

InChI Key

BYTVYKBFCGBXJU-UHFFFAOYSA-N

Formula

C15H16ClF3O4

SMILES

Cc1ccc(Cl)c(OC(=O)CCCC(=O)OC(C)C(F)(F)F)c1

Molecular Weight¹

352.73

• 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	0.7797		Relay (1.0) Calculated Property
ΔfG°	-895.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1424.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.94	kJ/mol	Joback Calculated Property
ΔvapH°	84.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-4.35		Relay (1.0) Calculated Property
logPoct/wat	4.218		Crippen Calculated Property
McVol	230.880	ml/mol	McGowan Calculated Property
Pc	1721.73	kPa	Joback Calculated Property
Inp	[1924.00; 1924.00]
Inp	1924.00		NIST
Inp	1924.00		NIST
Tboil	580.04	K	Relay (1.0) Calculated Property
Tc	771.18	K	Relay (1.0) Calculated Property
Tfus	326.14	K	Relay (1.0) Calculated Property
Vc	0.836	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[644.84; 706.70]	J/mol×K	[763.39; 962.40]
Cp,gas	644.84	J/mol×K	763.39	Joback Calculated Property
Cp,gas	657.30	J/mol×K	796.56	Joback Calculated Property
Cp,gas	668.87	J/mol×K	829.73	Joback Calculated Property
Cp,gas	679.57	J/mol×K	862.90	Joback Calculated Property
Cp,gas	689.42	J/mol×K	896.06	Joback Calculated Property
Cp,gas	698.46	J/mol×K	929.23	Joback Calculated Property
Cp,gas	706.70	J/mol×K	962.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chloro-5-methylphenyl ester.

Sources

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

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