Chemical Properties of Carbonic acid, isobutyl 2-nitro-5-fluorophenyl ester

InChI

InChI=1S/C11H12FNO5/c1-7(2)6-17-11(14)18-10-5-8(12)3-4-9(10)13(15)16/h3-5,7H,6H2,1-2H3

InChI Key

DVGUIWXNVXRKLD-UHFFFAOYSA-N

Formula

C11H12FNO5

SMILES

CC(C)COC(=O)Oc1cc(F)ccc1[N+](=O)[O-]

Molecular Weight¹

257.22

• 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°	-365.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-645.95	kJ/mol	Joback Calculated Property
ΔfusH°	32.40	kJ/mol	Joback Calculated Property
ΔvapH°	70.63	kJ/mol	Joback Calculated Property
log10WS	-3.85		Crippen Calculated Property
logPoct/wat	2.905		Crippen Calculated Property
McVol	174.590	ml/mol	McGowan Calculated Property
Pc	2579.34	kPa	Joback Calculated Property
Inp	[1674.00; 1674.00]
Inp	1674.00		NIST
Inp	1674.00		NIST
Tboil	737.10	K	Joback Calculated Property
Tc	962.10	K	Joback Calculated Property
Tfus	488.78	K	Joback Calculated Property
Vc	0.679	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[477.45; 535.53]	J/mol×K	[737.10; 962.10]
Cp,gas	477.45	J/mol×K	737.10	Joback Calculated Property
Cp,gas	489.41	J/mol×K	774.60	Joback Calculated Property
Cp,gas	500.46	J/mol×K	812.10	Joback Calculated Property
Cp,gas	510.60	J/mol×K	849.60	Joback Calculated Property
Cp,gas	519.82	J/mol×K	887.10	Joback Calculated Property
Cp,gas	528.13	J/mol×K	924.60	Joback Calculated Property
Cp,gas	535.53	J/mol×K	962.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, isobutyl 2-nitro-5-fluorophenyl ester.

Sources

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

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