Chemical Properties of Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C22H30F8O4/c1-2-7-16(13-12-15-8-4-3-5-9-15)34-18(32)11-6-10-17(31)33-14-20(25,26)22(29,30)21(27,28)19(23)24/h4,8,15-16,19H,2-3,5-7,9-14H2,1H3

InChI Key

TZJGDXCTZGFXHQ-UHFFFAOYSA-N

Formula

C22H30F8O4

SMILES

CCCC(CCC1C=CCCC1)OC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

510.46

• 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°	-1833.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-2480.60	kJ/mol	Joback Calculated Property
ΔfusH°	46.72	kJ/mol	Joback Calculated Property
ΔvapH°	72.40	kJ/mol	Joback Calculated Property
log10WS	-7.63		Crippen Calculated Property
logPoct/wat	6.719		Crippen Calculated Property
McVol	334.720	ml/mol	McGowan Calculated Property
Pc	927.24	kPa	Joback Calculated Property
Inp	[2227.00; 2227.00]
Inp	2227.00		NIST
Inp	2227.00		NIST
Tboil	857.64	K	Joback Calculated Property
Tc	1050.06	K	Joback Calculated Property
Tfus	472.14	K	Joback Calculated Property
Vc	1.333	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1120.90; 1203.14]	J/mol×K	[857.64; 1050.06]
Cp,gas	1120.90	J/mol×K	857.64	Joback Calculated Property
Cp,gas	1137.32	J/mol×K	889.71	Joback Calculated Property
Cp,gas	1152.54	J/mol×K	921.78	Joback Calculated Property
Cp,gas	1166.66	J/mol×K	953.85	Joback Calculated Property
Cp,gas	1179.75	J/mol×K	985.92	Joback Calculated Property
Cp,gas	1191.88	J/mol×K	1017.99	Joback Calculated Property
Cp,gas	1203.14	J/mol×K	1050.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 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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