Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl dodec-9-yn-1-yl ester

InChI

InChI=1S/C20H31F3O4/c1-3-4-5-6-7-8-9-10-11-12-16-26-18(24)14-13-15-19(25)27-17(2)20(21,22)23/h17H,3,6-16H2,1-2H3

InChI Key

SRWZSOXNPBJYAL-UHFFFAOYSA-N

Formula

C20H31F3O4

SMILES

CCC#CCCCCCCCCOC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

392.45

• 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	0.9040		Relay (1.0) Calculated Property
ΔfG°	-731.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1455.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.55	kJ/mol	Joback Calculated Property
ΔvapH°	95.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.55	eV	Relay (1.0) Calculated Property
log10WS	-5.02		Relay (1.0) Calculated Property
logPoct/wat	5.338		Crippen Calculated Property
McVol	304.250	ml/mol	McGowan Calculated Property
Pc	1115.57	kPa	Joback Calculated Property
Inp	[2192.00; 2192.00]
Inp	2192.00		NIST
Inp	2192.00		NIST
Tboil	588.68	K	Relay (1.0) Calculated Property
Tc	758.52	K	Relay (1.0) Calculated Property
Tfus	295.01	K	Relay (1.0) Calculated Property
Vc	1.117	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[943.67; 1027.93]	J/mol×K	[812.72; 999.04]
Cp,gas	943.67	J/mol×K	812.72	Joback Calculated Property
Cp,gas	960.10	J/mol×K	843.77	Joback Calculated Property
Cp,gas	975.54	J/mol×K	874.83	Joback Calculated Property
Cp,gas	990.01	J/mol×K	905.88	Joback Calculated Property
Cp,gas	1003.55	J/mol×K	936.93	Joback Calculated Property
Cp,gas	1016.18	J/mol×K	967.99	Joback Calculated Property
Cp,gas	1027.93	J/mol×K	999.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl dodec-9-yn-1-yl ester.

Sources

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

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