Chemical Properties of Glutaric acid, cyclohexylmethyl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C16H22F6O4/c17-14(16(20,21)22)15(18,19)10-26-13(24)8-4-7-12(23)25-9-11-5-2-1-3-6-11/h11,14H,1-10H2

InChI Key

MHMOOVIVLUBWLI-UHFFFAOYSA-N

Formula

C16H22F6O4

SMILES

O=C(CCCC(=O)OCC(F)(F)C(F)C(F)(F)F)OCC1CCCCC1

Molecular Weight¹

392.33

• 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°	-1525.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-2008.29	kJ/mol	Joback Calculated Property
ΔfusH°	34.73	kJ/mol	Joback Calculated Property
ΔvapH°	62.07	kJ/mol	Joback Calculated Property
log10WS	-4.84		Crippen Calculated Property
logPoct/wat	4.359		Crippen Calculated Property
McVol	250.940	ml/mol	McGowan Calculated Property
Pc	1391.25	kPa	Joback Calculated Property
Inp	[1809.00; 1809.00]
Inp	1809.00		NIST
Inp	1809.00		NIST
Tboil	726.33	K	Joback Calculated Property
Tc	905.14	K	Joback Calculated Property
Tfus	415.16	K	Joback Calculated Property
Vc	0.993	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[779.64; 860.53]	J/mol×K	[726.33; 905.14]
Cp,gas	779.64	J/mol×K	726.33	Joback Calculated Property
Cp,gas	795.54	J/mol×K	756.13	Joback Calculated Property
Cp,gas	810.42	J/mol×K	785.93	Joback Calculated Property
Cp,gas	824.32	J/mol×K	815.73	Joback Calculated Property
Cp,gas	837.28	J/mol×K	845.53	Joback Calculated Property
Cp,gas	849.34	J/mol×K	875.33	Joback Calculated Property
Cp,gas	860.53	J/mol×K	905.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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