Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methylphenyl ester

InChI

InChI=1S/C17H16F8O4/c1-10-4-2-5-11(8-10)29-13(27)7-3-6-12(26)28-9-15(20,21)17(24,25)16(22,23)14(18)19/h2,4-5,8,14H,3,6-7,9H2,1H3

InChI Key

ZVNRBOOXZIZLTQ-UHFFFAOYSA-N

Formula

C17H16F8O4

SMILES

Cc1cccc(OC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1

Molecular Weight¹

436.29

• 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°	-1825.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-2259.16	kJ/mol	Joback Calculated Property
ΔfusH°	37.89	kJ/mol	Joback Calculated Property
ΔvapH°	63.87	kJ/mol	Joback Calculated Property
log10WS	-5.73		Crippen Calculated Property
logPoct/wat	4.785		Crippen Calculated Property
McVol	255.670	ml/mol	McGowan Calculated Property
Pc	1334.91	kPa	Joback Calculated Property
Inp	[1917.00; 1917.00]
Inp	1917.00		NIST
Inp	1917.00		NIST
Tboil	756.63	K	Joback Calculated Property
Tc	937.01	K	Joback Calculated Property
Tfus	461.59	K	Joback Calculated Property
Vc	1.032	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[772.30; 835.24]	J/mol×K	[756.63; 937.01]
Cp,gas	772.30	J/mol×K	756.63	Joback Calculated Property
Cp,gas	784.83	J/mol×K	786.69	Joback Calculated Property
Cp,gas	796.47	J/mol×K	816.76	Joback Calculated Property
Cp,gas	807.29	J/mol×K	846.82	Joback Calculated Property
Cp,gas	817.32	J/mol×K	876.88	Joback Calculated Property
Cp,gas	826.62	J/mol×K	906.95	Joback Calculated Property
Cp,gas	835.24	J/mol×K	937.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methylphenyl ester.

Sources

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

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