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

InChI

InChI=1S/C22H30F4O4/c1-3-4-5-6-7-8-11-16(2)29-19(27)14-10-15-20(28)30-18-13-9-12-17(21(18)23)22(24,25)26/h9,12-13,16H,3-8,10-11,14-15H2,1-2H3

InChI Key

LQARVVHRGMEWHV-UHFFFAOYSA-N

Formula

C22H30F4O4

SMILES

CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

434.46

• 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	1.0349		Relay (1.0) Calculated Property
ΔfG°	-1019.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1712.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.96	kJ/mol	Joback Calculated Property
ΔvapH°	100.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-6.39		Relay (1.0) Calculated Property
logPoct/wat	6.603		Crippen Calculated Property
McVol	319.040	ml/mol	McGowan Calculated Property
Pc	1047.33	kPa	Joback Calculated Property
Inp	[2374.00; 2374.00]
Inp	2374.00		NIST
Inp	2374.00		NIST
Tboil	633.12	K	Relay (1.0) Calculated Property
Tc	811.25	K	Relay (1.0) Calculated Property
Tfus	303.76	K	Relay (1.0) Calculated Property
Vc	1.189	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1026.46; 1102.81]	J/mol×K	[885.39; 1084.53]
Cp,gas	1026.46	J/mol×K	885.39	Joback Calculated Property
Cp,gas	1041.92	J/mol×K	918.58	Joback Calculated Property
Cp,gas	1056.22	J/mol×K	951.77	Joback Calculated Property
Cp,gas	1069.42	J/mol×K	984.96	Joback Calculated Property
Cp,gas	1081.56	J/mol×K	1018.15	Joback Calculated Property
Cp,gas	1092.67	J/mol×K	1051.34	Joback Calculated Property
Cp,gas	1102.81	J/mol×K	1084.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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