Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C18H22F8O4/c1-11-5-2-3-6-12(11)9-29-13(27)7-4-8-14(28)30-10-16(21,22)18(25,26)17(23,24)15(19)20/h15H,2-10H2,1H3

InChI Key

DRQZZPSVBZJCHI-UHFFFAOYSA-N

Formula

C18H22F8O4

SMILES

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

Molecular Weight¹

454.35

• 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°	-1876.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-2395.36	kJ/mol	Joback Calculated Property
ΔfusH°	38.03	kJ/mol	Joback Calculated Property
ΔvapH°	65.52	kJ/mol	Joback Calculated Property
log10WS	-6.09		Crippen Calculated Property
logPoct/wat	5.305		Crippen Calculated Property
McVol	278.360	ml/mol	McGowan Calculated Property
Pc	1184.97	kPa	Joback Calculated Property
Inp	[1955.00; 1955.00]
Inp	1955.00		NIST
Inp	1955.00		NIST
Tboil	781.19	K	Joback Calculated Property
Tc	962.23	K	Joback Calculated Property
Tfus	471.34	K	Joback Calculated Property
Vc	1.117	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[880.79; 953.90]	J/mol×K	[781.19; 962.23]
Cp,gas	880.79	J/mol×K	781.19	Joback Calculated Property
Cp,gas	895.24	J/mol×K	811.36	Joback Calculated Property
Cp,gas	908.72	J/mol×K	841.54	Joback Calculated Property
Cp,gas	921.27	J/mol×K	871.71	Joback Calculated Property
Cp,gas	932.95	J/mol×K	901.89	Joback Calculated Property
Cp,gas	943.81	J/mol×K	932.06	Joback Calculated Property
Cp,gas	953.90	J/mol×K	962.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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