Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-nitrophenyl ester

InChI

InChI=1S/C14H13F4NO6/c15-13(16)14(17,18)8-24-11(20)2-1-3-12(21)25-10-6-4-9(5-7-10)19(22)23/h4-7,13H,1-3,8H2

InChI Key

PQHCPCRMYCFJLT-UHFFFAOYSA-N

Formula

C14H13F4NO6

SMILES

O=C(CCCC(=O)Oc1ccc([N+](=O)[O-])cc1)OCC(F)(F)C(F)F

Molecular Weight¹

367.25

• 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°	-1041.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1406.06	kJ/mol	Joback Calculated Property
ΔfusH°	43.99	kJ/mol	Joback Calculated Property
ΔvapH°	79.65	kJ/mol	Joback Calculated Property
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	3.114		Crippen Calculated Property
McVol	223.740	ml/mol	McGowan Calculated Property
Pc	1898.60	kPa	Joback Calculated Property
Inp	[2188.00; 2188.00]
Inp	2188.00		NIST
Inp	2188.00		NIST
Tboil	849.21	K	Joback Calculated Property
Tc	1059.85	K	Joback Calculated Property
Tfus	564.19	K	Joback Calculated Property
Vc	0.896	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[674.23; 722.03]	J/mol×K	[849.21; 1059.85]
Cp,gas	674.23	J/mol×K	849.21	Joback Calculated Property
Cp,gas	684.45	J/mol×K	884.32	Joback Calculated Property
Cp,gas	693.72	J/mol×K	919.42	Joback Calculated Property
Cp,gas	702.07	J/mol×K	954.53	Joback Calculated Property
Cp,gas	709.55	J/mol×K	989.64	Joback Calculated Property
Cp,gas	716.19	J/mol×K	1024.74	Joback Calculated Property
Cp,gas	722.03	J/mol×K	1059.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-nitrophenyl ester.

Sources

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

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