Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl dodec-9-yn-1-yl ester

InChI

InChI=1S/C20H30F4O4/c1-2-3-4-5-6-7-8-9-10-11-15-27-17(25)13-12-14-18(26)28-16-20(23,24)19(21)22/h19H,2,5-16H2,1H3

InChI Key

ABSDBGXAOOTARX-UHFFFAOYSA-N

Formula

C20H30F4O4

SMILES

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

Molecular Weight¹

410.44

• 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).
• 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
ΔfG°	-926.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1471.90	kJ/mol	Joback Calculated Property
ΔfusH°	57.63	kJ/mol	Joback Calculated Property
ΔvapH°	75.63	kJ/mol	Joback Calculated Property
log10WS	-6.34		Crippen Calculated Property
logPoct/wat	5.288		Crippen Calculated Property
McVol	306.020	ml/mol	McGowan Calculated Property
Pc	1082.78	kPa	Joback Calculated Property
Inp	[2281.00; 2281.00]
Inp	2281.00		NIST
Inp	2281.00		NIST
Tboil	811.99	K	Joback Calculated Property
Tc	996.21	K	Joback Calculated Property
Tfus	555.36	K	Joback Calculated Property
Vc	1.220	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[951.12; 1033.98]	J/mol×K	[811.99; 996.21]
Cp,gas	951.12	J/mol×K	811.99	Joback Calculated Property
Cp,gas	967.27	J/mol×K	842.69	Joback Calculated Property
Cp,gas	982.45	J/mol×K	873.40	Joback Calculated Property
Cp,gas	996.68	J/mol×K	904.10	Joback Calculated Property
Cp,gas	1010.00	J/mol×K	934.81	Joback Calculated Property
Cp,gas	1022.42	J/mol×K	965.51	Joback Calculated Property
Cp,gas	1033.98	J/mol×K	996.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl dodec-9-yn-1-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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