Chemical Properties of Glutaric acid, 2,2,2-triluoroethyl tridecyl ester

InChI

InChI=1S/C20H35F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-26-18(24)14-13-15-19(25)27-17-20(21,22)23/h2-17H2,1H3

InChI Key

DPXSBZMOYIWHPD-UHFFFAOYSA-N

Formula

C20H35F3O4

SMILES

CCCCCCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)F

Molecular Weight¹

396.48

• 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	1.0576		Relay (1.0) Calculated Property
ΔfG°	-931.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1700.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.96	kJ/mol	Joback Calculated Property
ΔvapH°	98.70	kJ/mol	Relay (1.0) Calculated Property
IE	10.11	eV	Relay (1.0) Calculated Property
log10WS	-5.99		Relay (1.0) Calculated Property
logPoct/wat	6.116		Crippen Calculated Property
McVol	312.850	ml/mol	McGowan Calculated Property
Pc	1000.18	kPa	Joback Calculated Property
Inp	[2210.00; 2210.00]
Inp	2210.00		NIST
Inp	2210.00		NIST
Tboil	608.88	K	Relay (1.0) Calculated Property
Tc	753.71	K	Relay (1.0) Calculated Property
Tfus	302.14	K	Relay (1.0) Calculated Property
Vc	1.200	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[992.47; 1082.78]	J/mol×K	[804.16; 984.84]
Cp,gas	992.47	J/mol×K	804.16	Joback Calculated Property
Cp,gas	1009.94	J/mol×K	834.27	Joback Calculated Property
Cp,gas	1026.40	J/mol×K	864.39	Joback Calculated Property
Cp,gas	1041.88	J/mol×K	894.50	Joback Calculated Property
Cp,gas	1056.42	J/mol×K	924.61	Joback Calculated Property
Cp,gas	1070.04	J/mol×K	954.73	Joback Calculated Property
Cp,gas	1082.78	J/mol×K	984.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,2-triluoroethyl tridecyl ester.

Sources

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

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