Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C16H23F3O4/c1-11-6-3-4-7-13(11)10-22-14(20)8-5-9-15(21)23-12(2)16(17,18)19/h12H,3-10H2,1-2H3

InChI Key

XJSGKRQDRAFMQI-UHFFFAOYSA-N

Formula

C16H23F3O4

SMILES

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

Molecular Weight¹

336.35

• 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	0.7003		Relay (1.0) Calculated Property
ΔfG°	-925.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1475.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.28	kJ/mol	Joback Calculated Property
ΔvapH°	80.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-3.41		Relay (1.0) Calculated Property
logPoct/wat	4.084		Crippen Calculated Property
McVol	241.330	ml/mol	McGowan Calculated Property
Pc	1567.23	kPa	Joback Calculated Property
Inp	[1783.00; 1783.00]
Inp	1783.00		NIST
Inp	1783.00		NIST
Tboil	578.79	K	Relay (1.0) Calculated Property
Tc	737.96	K	Relay (1.0) Calculated Property
Tfus	304.43	K	Relay (1.0) Calculated Property
Vc	0.873	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[725.46; 804.91]	J/mol×K	[745.54; 936.56]
Cp,gas	725.46	J/mol×K	745.54	Joback Calculated Property
Cp,gas	741.11	J/mol×K	777.38	Joback Calculated Property
Cp,gas	755.77	J/mol×K	809.21	Joback Calculated Property
Cp,gas	769.45	J/mol×K	841.05	Joback Calculated Property
Cp,gas	782.18	J/mol×K	872.89	Joback Calculated Property
Cp,gas	793.99	J/mol×K	904.72	Joback Calculated Property
Cp,gas	804.91	J/mol×K	936.56	Joback Calculated Property

Similar Compounds

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

Sources

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

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