Chemical Properties of Bifenox (CAS 42576-02-3)

InChI

InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3

InChI Key

SUSRORUBZHMPCO-UHFFFAOYSA-N

Formula

C14H9Cl2NO3

SMILES

COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

Molecular Weight¹

310.13

CAS

42576-02-3

Other Names

• 2,4-Dichlorophenyl 3-Methoxycarbonyl-4-nitrophenyl ether
• 2,4-Dichlorophenyl 3-methoxycarbonyl-4-nitrophenyl ether2246
• 5-(2,4-Dichlorophenoxy)-2-nitrobenzoic acid methyl ester
• Benzoic acid, 5-(2,4-dichlorophenoxy)-2-nitro-, methyl ester
• MC 4379
• Methyl 5-(2',4'-dichlorophenoxy)-2-nitrobenzoate
• Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
• Modown
• Modown 4 flowable

• 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_fusH : Enthalpy of fusion at a given temperature (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°	-73.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.37	kJ/mol	Joback Calculated Property
ΔfusH°	42.27	kJ/mol	Joback Calculated Property
ΔvapH°	90.88	kJ/mol	Joback Calculated Property
log10WS	-6.00		Aq. Sol...
logPoct/wat	4.480		Crippen Calculated Property
McVol	215.810	ml/mol	McGowan Calculated Property
Pc	2517.59	kPa	Joback Calculated Property
Inp	[2498.00; 2515.00]
Inp	2498.00		NIST
Inp	2505.00		NIST
Inp	2515.00		NIST
Inp	2498.00		NIST
Tboil	918.41	K	Joback Calculated Property
Tc	1180.54	K	Joback Calculated Property
Tfus	359.27 ± 0.20	K	NIST
Vc	0.826	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[566.44; 598.18]	J/mol×K	[918.41; 1180.54]
Cp,gas	566.44	J/mol×K	918.41	Joback Calculated Property
Cp,gas	574.89	J/mol×K	962.10	Joback Calculated Property
Cp,gas	582.06	J/mol×K	1005.79	Joback Calculated Property
Cp,gas	587.96	J/mol×K	1049.47	Joback Calculated Property
Cp,gas	592.60	J/mol×K	1093.16	Joback Calculated Property
Cp,gas	596.01	J/mol×K	1136.85	Joback Calculated Property
Cp,gas	598.18	J/mol×K	1180.54	Joback Calculated Property
ΔfusH	[26.31; 26.31]	kJ/mol	[358.30; 358.30]
ΔfusH	26.31	kJ/mol	358.30	NIST
ΔfusH	26.31	kJ/mol	358.30	NIST

Similar Compounds

Find more compounds similar to Bifenox.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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