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

InChI

InChI=1S/C17H15F5O4/c1-3-5-9(4-2)26-12(24)7-6-11(23)25-8-10-13(18)15(20)17(22)16(21)14(10)19/h9H,4,6-8H2,1-2H3

InChI Key

GOLSNLJHZWDIBP-UHFFFAOYSA-N

Formula

C17H15F5O4

SMILES

CC#CC(CC)OC(=O)CCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

378.29

• 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°	-1085.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1418.16	kJ/mol	Joback Calculated Property
ΔfusH°	52.45	kJ/mol	Joback Calculated Property
ΔvapH°	75.01	kJ/mol	Joback Calculated Property
log10WS	-5.83		Crippen Calculated Property
logPoct/wat	3.551		Crippen Calculated Property
McVol	241.760	ml/mol	McGowan Calculated Property
Pc	1527.07	kPa	Joback Calculated Property
Inp	[1982.00; 1982.00]
Inp	1982.00		NIST
Inp	1982.00		NIST
Tboil	797.43	K	Joback Calculated Property
Tc	990.26	K	Joback Calculated Property
Tfus	608.74	K	Joback Calculated Property
Vc	0.974	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[689.66; 750.21]	J/mol×K	[797.43; 990.26]
Cp,gas	689.66	J/mol×K	797.43	Joback Calculated Property
Cp,gas	701.85	J/mol×K	829.57	Joback Calculated Property
Cp,gas	713.21	J/mol×K	861.71	Joback Calculated Property
Cp,gas	723.73	J/mol×K	893.85	Joback Calculated Property
Cp,gas	733.41	J/mol×K	925.98	Joback Calculated Property
Cp,gas	742.24	J/mol×K	958.12	Joback Calculated Property
Cp,gas	750.21	J/mol×K	990.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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