Chemical Properties of Glutaric acid, naphth-2-ylmethyl pentafluorophenyl ester

InChI

InChI=1S/C22H15F5O4/c23-17-18(24)20(26)22(21(27)19(17)25)31-16(29)7-3-6-15(28)30-11-12-8-9-13-4-1-2-5-14(13)10-12/h1-2,4-5,8-10H,3,6-7,11H2

InChI Key

RXUPBGCPWSRBMO-UHFFFAOYSA-N

Formula

C22H15F5O4

SMILES

O=C(CCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)OCc1ccc2ccccc2c1

Molecular Weight¹

438.34

• 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°	-1033.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1372.25	kJ/mol	Joback Calculated Property
ΔfusH°	56.48	kJ/mol	Joback Calculated Property
ΔvapH°	88.96	kJ/mol	Joback Calculated Property
log10WS	-7.89		Crippen Calculated Property
logPoct/wat	5.354		Crippen Calculated Property
McVol	277.590	ml/mol	McGowan Calculated Property
Pc	1428.30	kPa	Joback Calculated Property
Inp	[2782.00; 2782.00]
Inp	2782.00		NIST
Inp	2782.00		NIST
Tboil	953.91	K	Joback Calculated Property
Tc	1172.31	K	Joback Calculated Property
Tfus	645.63	K	Joback Calculated Property
Vc	1.111	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[845.46; 893.84]	J/mol×K	[953.91; 1172.31]
Cp,gas	845.46	J/mol×K	953.91	Joback Calculated Property
Cp,gas	856.01	J/mol×K	990.31	Joback Calculated Property
Cp,gas	865.52	J/mol×K	1026.71	Joback Calculated Property
Cp,gas	874.02	J/mol×K	1063.11	Joback Calculated Property
Cp,gas	881.55	J/mol×K	1099.51	Joback Calculated Property
Cp,gas	888.14	J/mol×K	1135.91	Joback Calculated Property
Cp,gas	893.84	J/mol×K	1172.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl pentafluorophenyl ester.

Sources

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

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