Chemical Properties of m-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester

InChI

InChI=1S/C14H10FNO5/c1-20-11-4-2-3-9(7-11)14(17)21-13-8-10(15)5-6-12(13)16(18)19/h2-8H,1H3

InChI Key

QSNRNPKLPYXYKT-UHFFFAOYSA-N

Formula

C14H10FNO5

SMILES

COc1cccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])c1

Molecular Weight¹

291.23

• 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°	-235.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-477.53	kJ/mol	Joback Calculated Property
ΔfusH°	37.35	kJ/mol	Joback Calculated Property
ΔvapH°	80.64	kJ/mol	Joback Calculated Property
log10WS	-4.66		Crippen Calculated Property
logPoct/wat	2.962		Crippen Calculated Property
McVol	193.100	ml/mol	McGowan Calculated Property
Pc	2632.55	kPa	Joback Calculated Property
Inp	[2131.00; 2131.00]
Inp	2131.00		NIST
Inp	2131.00		NIST
Tboil	837.84	K	Joback Calculated Property
Tc	1086.14	K	Joback Calculated Property
Tfus	576.53	K	Joback Calculated Property
Vc	0.746	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.22; 586.33]	J/mol×K	[837.84; 1086.14]
Cp,gas	539.22	J/mol×K	837.84	Joback Calculated Property
Cp,gas	550.03	J/mol×K	879.22	Joback Calculated Property
Cp,gas	559.64	J/mol×K	920.61	Joback Calculated Property
Cp,gas	568.05	J/mol×K	961.99	Joback Calculated Property
Cp,gas	575.30	J/mol×K	1003.37	Joback Calculated Property
Cp,gas	581.39	J/mol×K	1044.75	Joback Calculated Property
Cp,gas	586.33	J/mol×K	1086.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to m-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester.

Sources

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

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