Chemical Properties of Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl dodec-9-yn-1-yl ester

InChI

InChI=1S/C21H28F8O4/c1-2-3-4-5-6-7-8-9-10-11-14-32-16(30)12-13-17(31)33-15-19(24,25)21(28,29)20(26,27)18(22)23/h18H,2,5-15H2,1H3

InChI Key

NMODLQBGFORKCD-UHFFFAOYSA-N

Formula

C21H28F8O4

SMILES

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

Molecular Weight¹

496.43

• 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°	-1691.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-2294.48	kJ/mol	Joback Calculated Property
ΔfusH°	57.72	kJ/mol	Joback Calculated Property
ΔvapH°	71.99	kJ/mol	Joback Calculated Property
log10WS	-7.39		Crippen Calculated Property
logPoct/wat	6.168		Crippen Calculated Property
McVol	327.190	ml/mol	McGowan Calculated Property
Pc	931.21	kPa	Joback Calculated Property
Inp	[2269.00; 2269.00]
Inp	2269.00		NIST
Inp	2269.00		NIST
Tboil	825.49	K	Joback Calculated Property
Tc	1010.64	K	Joback Calculated Property
Tfus	573.83	K	Joback Calculated Property
Vc	1.327	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1042.20; 1121.96]	J/mol×K	[825.49; 1010.64]
Cp,gas	1042.20	J/mol×K	825.49	Joback Calculated Property
Cp,gas	1057.75	J/mol×K	856.35	Joback Calculated Property
Cp,gas	1072.32	J/mol×K	887.21	Joback Calculated Property
Cp,gas	1085.96	J/mol×K	918.07	Joback Calculated Property
Cp,gas	1098.74	J/mol×K	948.92	Joback Calculated Property
Cp,gas	1110.72	J/mol×K	979.78	Joback Calculated Property
Cp,gas	1121.96	J/mol×K	1010.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl dodec-9-yn-1-yl ester.

Sources

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

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