Chemical Properties of Glutaric acid, dec-2-yl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C18H29F5O4/c1-3-4-5-6-7-8-10-14(2)27-16(25)12-9-11-15(24)26-13-17(19,20)18(21,22)23/h14H,3-13H2,1-2H3

InChI Key

JTWCBEYEUSKHAB-UHFFFAOYSA-N

Formula

C18H29F5O4

SMILES

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

Molecular Weight¹

404.41

• 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	0.9307		Relay (1.0) Calculated Property
ΔfG°	-1337.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-2070.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.00	kJ/mol	Joback Calculated Property
ΔvapH°	87.25	kJ/mol	Relay (1.0) Calculated Property
IE	10.03	eV	Relay (1.0) Calculated Property
log10WS	-5.65		Relay (1.0) Calculated Property
logPoct/wat	5.580		Crippen Calculated Property
McVol	288.210	ml/mol	McGowan Calculated Property
Pc	1087.06	kPa	Joback Calculated Property
Inp	[1778.00; 1778.00]
Inp	1778.00		NIST
Inp	1778.00		NIST
Tboil	563.67	K	Relay (1.0) Calculated Property
Tc	679.38	K	Relay (1.0) Calculated Property
Tfus	269.92	K	Relay (1.0) Calculated Property
Vc	1.088	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[891.25; 974.28]	J/mol×K	[753.27; 925.22]
Cp,gas	891.25	J/mol×K	753.27	Joback Calculated Property
Cp,gas	907.22	J/mol×K	781.93	Joback Calculated Property
Cp,gas	922.28	J/mol×K	810.59	Joback Calculated Property
Cp,gas	936.49	J/mol×K	839.24	Joback Calculated Property
Cp,gas	949.87	J/mol×K	867.90	Joback Calculated Property
Cp,gas	962.46	J/mol×K	896.56	Joback Calculated Property
Cp,gas	974.28	J/mol×K	925.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dec-2-yl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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