Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-nitrobenzyl ester

InChI

InChI=1S/C15H16F3NO6/c1-10(15(16,17)18)25-14(21)7-3-6-13(20)24-9-11-4-2-5-12(8-11)19(22)23/h2,4-5,8,10H,3,6-7,9H2,1H3

InChI Key

XLNKOSULOGOSHJ-UHFFFAOYSA-N

Formula

C15H16F3NO6

SMILES

CC(OC(=O)CCCC(=O)OCc1cccc([N+](=O)[O-])c1)C(F)(F)F

Molecular Weight¹

363.29

• 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°	-838.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1230.59	kJ/mol	Joback Calculated Property
ΔfusH°	43.50	kJ/mol	Joback Calculated Property
ΔvapH°	82.69	kJ/mol	Joback Calculated Property
log10WS	-4.85		Crippen Calculated Property
logPoct/wat	3.302		Crippen Calculated Property
McVol	236.060	ml/mol	McGowan Calculated Property
Pc	1816.95	kPa	Joback Calculated Property
Inp	[2209.00; 2209.00]
Inp	2209.00		NIST
Inp	2209.00		NIST
Tboil	872.82	K	Joback Calculated Property
Tc	1088.31	K	Joback Calculated Property
Tfus	574.87	K	Joback Calculated Property
Vc	0.934	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[722.09; 772.88]	J/mol×K	[872.82; 1088.31]
Cp,gas	722.09	J/mol×K	872.82	Joback Calculated Property
Cp,gas	732.97	J/mol×K	908.74	Joback Calculated Property
Cp,gas	742.82	J/mol×K	944.65	Joback Calculated Property
Cp,gas	751.70	J/mol×K	980.57	Joback Calculated Property
Cp,gas	759.64	J/mol×K	1016.48	Joback Calculated Property
Cp,gas	766.69	J/mol×K	1052.40	Joback Calculated Property
Cp,gas	772.88	J/mol×K	1088.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-nitrobenzyl ester.

Sources

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

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