Chemical Properties of Glutaric acid, tridec-2-yn-1-yl pentafluorobenzyl ester

InChI

InChI=1S/C25H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-33-19(31)14-13-15-20(32)34-17-18-21(26)23(28)25(30)24(29)22(18)27/h2-10,13-17H2,1H3

InChI Key

URFRPWKSSKZZLZ-UHFFFAOYSA-N

Formula

C25H31F5O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

490.50

• 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°	-1015.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1578.00	kJ/mol	Joback Calculated Property
ΔfusH°	76.70	kJ/mol	Joback Calculated Property
ΔvapH°	93.21	kJ/mol	Joback Calculated Property
log10WS	-9.06		Crippen Calculated Property
logPoct/wat	6.673		Crippen Calculated Property
McVol	354.480	ml/mol	McGowan Calculated Property
Pc	899.10	kPa	Joback Calculated Property
Inp	[2820.00; 2820.00]
Inp	2820.00		NIST
Inp	2820.00		NIST
Tboil	980.91	K	Joback Calculated Property
Tc	1204.76	K	Joback Calculated Property
Tfus	713.90	K	Joback Calculated Property
Vc	1.427	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1156.73; 1224.28]	J/mol×K	[980.91; 1204.76]
Cp,gas	1156.73	J/mol×K	980.91	Joback Calculated Property
Cp,gas	1171.81	J/mol×K	1018.22	Joback Calculated Property
Cp,gas	1185.34	J/mol×K	1055.53	Joback Calculated Property
Cp,gas	1197.32	J/mol×K	1092.84	Joback Calculated Property
Cp,gas	1207.80	J/mol×K	1130.14	Joback Calculated Property
Cp,gas	1216.77	J/mol×K	1167.45	Joback Calculated Property
Cp,gas	1224.28	J/mol×K	1204.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl pentafluorobenzyl ester.

Sources

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

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