Chemical Properties of Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl 2-methylhex-3-yl ester

InChI

InChI=1S/C16H23F7O4/c1-4-6-11(10(2)3)27-13(25)8-5-7-12(24)26-9-14(17,18)15(19,20)16(21,22)23/h10-11H,4-9H2,1-3H3

InChI Key

LKUYMUWIJZSHJM-UHFFFAOYSA-N

Formula

C16H23F7O4

SMILES

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

Molecular Weight¹

412.34

• 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	0.8214		Relay (1.0) Calculated Property
ΔfG°	-1744.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-2426.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.04	kJ/mol	Joback Calculated Property
ΔvapH°	77.26	kJ/mol	Relay (1.0) Calculated Property
IE	10.05	eV	Relay (1.0) Calculated Property
log10WS	-5.17		Relay (1.0) Calculated Property
logPoct/wat	4.901		Crippen Calculated Property
McVol	263.570	ml/mol	McGowan Calculated Property
Pc	1185.79	kPa	Joback Calculated Property
Inp	[1696.00; 1696.00]
Inp	1696.00		NIST
Inp	1696.00		NIST
Tboil	539.24	K	Relay (1.0) Calculated Property
Tc	645.01	K	Relay (1.0) Calculated Property
Tfus	244.98	K	Relay (1.0) Calculated Property
Vc	0.979	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.60; 871.48]	J/mol×K	[702.38; 867.88]
Cp,gas	795.60	J/mol×K	702.38	Joback Calculated Property
Cp,gas	810.23	J/mol×K	729.96	Joback Calculated Property
Cp,gas	824.01	J/mol×K	757.55	Joback Calculated Property
Cp,gas	836.99	J/mol×K	785.13	Joback Calculated Property
Cp,gas	849.20	J/mol×K	812.71	Joback Calculated Property
Cp,gas	860.68	J/mol×K	840.30	Joback Calculated Property
Cp,gas	871.48	J/mol×K	867.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl 2-methylhex-3-yl ester.

Sources

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

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