Chemical Properties of Glutaric acid, (cyclohex-3-enyl)methyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C15H21F3O4/c1-11(15(16,17)18)22-14(20)9-5-8-13(19)21-10-12-6-3-2-4-7-12/h2-3,11-12H,4-10H2,1H3

InChI Key

SFSSQDJQFLXWMA-UHFFFAOYSA-N

Formula

C15H21F3O4

SMILES

CC(OC(=O)CCCC(=O)OCC1CC=CCC1)C(F)(F)F

Molecular Weight¹

322.32

• 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).
• 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
ΔfG°	-922.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1332.79	kJ/mol	Joback Calculated Property
ΔfusH°	31.54	kJ/mol	Joback Calculated Property
ΔvapH°	63.88	kJ/mol	Joback Calculated Property
log10WS	-4.11		Crippen Calculated Property
logPoct/wat	3.550		Crippen Calculated Property
McVol	227.240	ml/mol	McGowan Calculated Property
Pc	1689.34	kPa	Joback Calculated Property
Inp	[1737.00; 1737.00]
Inp	1737.00		NIST
Inp	1737.00		NIST
Tboil	708.03	K	Joback Calculated Property
Tc	897.93	K	Joback Calculated Property
Tfus	400.46	K	Joback Calculated Property
Vc	0.879	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[673.43; 754.98]	J/mol×K	[708.03; 897.93]
Cp,gas	673.43	J/mol×K	708.03	Joback Calculated Property
Cp,gas	689.49	J/mol×K	739.68	Joback Calculated Property
Cp,gas	704.53	J/mol×K	771.33	Joback Calculated Property
Cp,gas	718.57	J/mol×K	802.98	Joback Calculated Property
Cp,gas	731.64	J/mol×K	834.63	Joback Calculated Property
Cp,gas	743.77	J/mol×K	866.28	Joback Calculated Property
Cp,gas	754.98	J/mol×K	897.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (cyclohex-3-enyl)methyl 1,1,1-trifluoroprop-2-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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