Chemical Properties of Glutaric acid, nonyl 4-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C22H31F3O4/c1-2-3-4-5-6-7-8-16-28-20(26)10-9-11-21(27)29-17-18-12-14-19(15-13-18)22(23,24)25/h12-15H,2-11,16-17H2,1H3

InChI Key

RWALQSCLSMUCIM-UHFFFAOYSA-N

Formula

C22H31F3O4

SMILES

CCCCCCCCCOC(=O)CCCC(=O)OCc1ccc(C(F)(F)F)cc1

Molecular Weight¹

416.47

• 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	1.0422		Relay (1.0) Calculated Property
ΔfG°	-812.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1498.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.79	kJ/mol	Joback Calculated Property
ΔvapH°	103.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-6.09		Relay (1.0) Calculated Property
logPoct/wat	6.213		Crippen Calculated Property
McVol	317.270	ml/mol	McGowan Calculated Property
Pc	1083.49	kPa	Joback Calculated Property
Inp	[2739.00; 2739.00]
Inp	2739.00		NIST
Inp	2739.00		NIST
Tboil	649.03	K	Relay (1.0) Calculated Property
Tc	824.74	K	Relay (1.0) Calculated Property
Tfus	312.99	K	Relay (1.0) Calculated Property
Vc	1.187	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1019.44; 1097.67]	J/mol×K	[881.58; 1080.54]
Cp,gas	1019.44	J/mol×K	881.58	Joback Calculated Property
Cp,gas	1035.16	J/mol×K	914.74	Joback Calculated Property
Cp,gas	1049.75	J/mol×K	947.90	Joback Calculated Property
Cp,gas	1063.24	J/mol×K	981.06	Joback Calculated Property
Cp,gas	1075.70	J/mol×K	1014.22	Joback Calculated Property
Cp,gas	1087.16	J/mol×K	1047.38	Joback Calculated Property
Cp,gas	1097.67	J/mol×K	1080.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, nonyl 4-(trifluoromethyl)benzyl ester.

Sources

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

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