Chemical Properties of Succinic acid, tridec-2-yn-1-yl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C21H30F6O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-30-17(28)13-14-18(29)31-16-20(23,24)19(22)21(25,26)27/h19H,2-10,13-16H2,1H3

InChI Key

BYGXEVXWLBIJSL-UHFFFAOYSA-N

Formula

C21H30F6O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

460.45

• 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°	-1304.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1893.51	kJ/mol	Joback Calculated Property
ΔfusH°	58.97	kJ/mol	Joback Calculated Property
ΔvapH°	74.92	kJ/mol	Joback Calculated Property
log10WS	-7.07		Crippen Calculated Property
logPoct/wat	5.923		Crippen Calculated Property
McVol	323.650	ml/mol	McGowan Calculated Property
Pc	972.91	kPa	Joback Calculated Property
Inp	[2293.00; 2293.00]
Inp	2293.00		NIST
Inp	2293.00		NIST
Tboil	830.18	K	Joback Calculated Property
Tc	1016.57	K	Joback Calculated Property
Tfus	570.23	K	Joback Calculated Property
Vc	1.302	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1026.36; 1108.59]	J/mol×K	[830.18; 1016.57]
Cp,gas	1026.36	J/mol×K	830.18	Joback Calculated Property
Cp,gas	1042.42	J/mol×K	861.25	Joback Calculated Property
Cp,gas	1057.48	J/mol×K	892.31	Joback Calculated Property
Cp,gas	1071.58	J/mol×K	923.38	Joback Calculated Property
Cp,gas	1084.77	J/mol×K	954.44	Joback Calculated Property
Cp,gas	1097.09	J/mol×K	985.51	Joback Calculated Property
Cp,gas	1108.59	J/mol×K	1016.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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