Chemical Properties of Succinic acid, hex-4-yn-3-yl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C13H16F4O4/c1-3-5-9(4-2)21-11(19)7-6-10(18)20-8-13(16,17)12(14)15/h9,12H,4,6-8H2,1-2H3

InChI Key

MWGANCKJNQZBOW-UHFFFAOYSA-N

Formula

C13H16F4O4

SMILES

CC#CC(CC)OC(=O)CCC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

312.26

• 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°	-987.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1332.70	kJ/mol	Joback Calculated Property
ΔfusH°	35.98	kJ/mol	Joback Calculated Property
ΔvapH°	59.66	kJ/mol	Joback Calculated Property
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	2.555		Crippen Calculated Property
McVol	207.390	ml/mol	McGowan Calculated Property
Pc	1796.98	kPa	Joback Calculated Property
Inp	[1548.00; 1548.00]
Inp	1548.00		NIST
Inp	1548.00		NIST
Tboil	651.39	K	Joback Calculated Property
Tc	830.88	K	Joback Calculated Property
Tfus	461.47	K	Joback Calculated Property
Vc	0.823	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.92; 630.85]	J/mol×K	[651.39; 830.88]
Cp,gas	561.92	J/mol×K	651.39	Joback Calculated Property
Cp,gas	575.13	J/mol×K	681.31	Joback Calculated Property
Cp,gas	587.63	J/mol×K	711.22	Joback Calculated Property
Cp,gas	599.44	J/mol×K	741.14	Joback Calculated Property
Cp,gas	610.57	J/mol×K	771.05	Joback Calculated Property
Cp,gas	621.04	J/mol×K	800.97	Joback Calculated Property
Cp,gas	630.85	J/mol×K	830.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hex-4-yn-3-yl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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