Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-nitrophenyl ester

InChI

InChI=1S/C14H14F3NO6/c1-9(14(15,16)17)23-12(19)3-2-4-13(20)24-11-7-5-10(6-8-11)18(21)22/h5-9H,2-4H2,1H3

InChI Key

POWGWGBDPFUTKG-UHFFFAOYSA-N

Formula

C14H14F3NO6

SMILES

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

Molecular Weight¹

349.26

• 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°	-846.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1209.95	kJ/mol	Joback Calculated Property
ΔfusH°	40.91	kJ/mol	Joback Calculated Property
ΔvapH°	80.46	kJ/mol	Joback Calculated Property
log10WS	-4.58		Crippen Calculated Property
logPoct/wat	3.164		Crippen Calculated Property
McVol	221.970	ml/mol	McGowan Calculated Property
Pc	1975.31	kPa	Joback Calculated Property
Inp	[2090.00; 2090.00]
Inp	2090.00		NIST
Inp	2090.00		NIST
Tboil	849.94	K	Joback Calculated Property
Tc	1066.37	K	Joback Calculated Property
Tfus	563.60	K	Joback Calculated Property
Vc	0.878	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[666.76; 716.23]	J/mol×K	[849.94; 1066.37]
Cp,gas	666.76	J/mol×K	849.94	Joback Calculated Property
Cp,gas	677.37	J/mol×K	886.01	Joback Calculated Property
Cp,gas	686.98	J/mol×K	922.08	Joback Calculated Property
Cp,gas	695.63	J/mol×K	958.16	Joback Calculated Property
Cp,gas	703.37	J/mol×K	994.23	Joback Calculated Property
Cp,gas	710.22	J/mol×K	1030.30	Joback Calculated Property
Cp,gas	716.23	J/mol×K	1066.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-nitrophenyl ester.

Sources

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

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