Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C16H22F4O4/c1-11-5-2-3-6-12(11)9-23-13(21)7-4-8-14(22)24-10-16(19,20)15(17)18/h15H,2-10H2,1H3

InChI Key

NGSVOBXUWVVTJX-UHFFFAOYSA-N

Formula

C16H22F4O4

SMILES

CC1=C(COC(=O)CCCC(=O)OCC(F)(F)C(F)F)CCCC1

Molecular Weight¹

354.34

• 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	0.7411		Relay (1.0) Calculated Property
ΔfG°	-1119.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1620.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.36	kJ/mol	Joback Calculated Property
ΔvapH°	85.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-3.95		Relay (1.0) Calculated Property
logPoct/wat	4.034		Crippen Calculated Property
McVol	243.100	ml/mol	McGowan Calculated Property
Pc	1512.85	kPa	Joback Calculated Property
Inp	[1871.00; 1871.00]
Inp	1871.00		NIST
Inp	1871.00		NIST
Tboil	593.90	K	Relay (1.0) Calculated Property
Tc	759.47	K	Relay (1.0) Calculated Property
Tfus	319.77	K	Relay (1.0) Calculated Property
Vc	0.891	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[733.17; 810.29]	J/mol×K	[744.81; 930.58]
Cp,gas	733.17	J/mol×K	744.81	Joback Calculated Property
Cp,gas	748.32	J/mol×K	775.77	Joback Calculated Property
Cp,gas	762.52	J/mol×K	806.73	Joback Calculated Property
Cp,gas	775.80	J/mol×K	837.70	Joback Calculated Property
Cp,gas	788.17	J/mol×K	868.66	Joback Calculated Property
Cp,gas	799.66	J/mol×K	899.62	Joback Calculated Property
Cp,gas	810.29	J/mol×K	930.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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