Chemical Properties of Glutaric acid, 1-(pentafluorophenyl)ethyl tetradecyl ester

InChI

InChI=1S/C27H39F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-35-20(33)16-15-17-21(34)36-19(2)22-23(28)25(30)27(32)26(31)24(22)29/h19H,3-18H2,1-2H3

InChI Key

NJYZWLSJRPZAOO-UHFFFAOYSA-N

Formula

C27H39F5O4

SMILES

CCCCCCCCCCCCCCOC(=O)CCCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

522.59

• 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°	-1203.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1896.86	kJ/mol	Joback Calculated Property
ΔfusH°	75.23	kJ/mol	Joback Calculated Property
ΔvapH°	95.12	kJ/mol	Joback Calculated Property
log10WS	-10.07		Crippen Calculated Property
logPoct/wat	8.401		Crippen Calculated Property
McVol	391.260	ml/mol	McGowan Calculated Property
Pc	738.82	kPa	Joback Calculated Property
Inp	[2911.00; 2911.00]
Inp	2911.00		NIST
Inp	2911.00		NIST
Tboil	1017.23	K	Joback Calculated Property
Tc	1266.02	K	Joback Calculated Property
Tfus	615.34	K	Joback Calculated Property
Vc	1.571	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1337.47; 1412.82]	J/mol×K	[1017.23; 1266.02]
Cp,gas	1337.47	J/mol×K	1017.23	Joback Calculated Property
Cp,gas	1355.15	J/mol×K	1058.69	Joback Calculated Property
Cp,gas	1370.72	J/mol×K	1100.16	Joback Calculated Property
Cp,gas	1384.23	J/mol×K	1141.62	Joback Calculated Property
Cp,gas	1395.71	J/mol×K	1183.09	Joback Calculated Property
Cp,gas	1405.23	J/mol×K	1224.55	Joback Calculated Property
Cp,gas	1412.82	J/mol×K	1266.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(pentafluorophenyl)ethyl tetradecyl ester.

Sources

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

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