Chemical Properties of Chlomethoxyfen (CAS 32861-85-1)

InChI

InChI=1S/C13H9Cl2NO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3

InChI Key

DXXVCXKMSWHGTF-UHFFFAOYSA-N

Formula

C13H9Cl2NO4

SMILES

COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

Molecular Weight¹

314.12

CAS

32861-85-1

Other Names

• X-52
• 2,4-Dichlorophenyl 3-methoxy-4-nitrophenyl ether

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7477		Relay (... Calculated Property
ΔfG°	46.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-178.18	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.08	kJ/mol	Joback Calculated Property
ΔvapH°	100.78	kJ/mol	Relay (... Calculated Property
IE	8.17	eV	Relay (... Calculated Property
log10WS	-5.85		Relay (... Calculated Property
logPoct/wat	4.703		Crippen Calculated Property
McVol	200.150	ml/mol	McGowan Calculated Property
Pc	2603.08	kPa	Joback Calculated Property
Inp	[2432.00; 2465.00]
Inp	2432.00		NIST
Inp	2435.00		NIST
Inp	2465.00		NIST
Inp	2432.00		NIST
Inp	2432.00		NIST
Inp	2465.00		NIST
Tboil	629.91	K	Relay (... Calculated Property
Tc	943.61	K	Relay (... Calculated Property
Tfus	347.36	K	Relay (... Calculated Property
Vc	0.703	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.19; 552.91]	J/mol×K	[841.66; 1105.22]
Cp,gas	509.19	J/mol×K	841.66	Joback Calculated Property
Cp,gas	519.47	J/mol×K	885.59	Joback Calculated Property
Cp,gas	528.53	J/mol×K	929.51	Joback Calculated Property
Cp,gas	536.39	J/mol×K	973.44	Joback Calculated Property
Cp,gas	543.07	J/mol×K	1017.36	Joback Calculated Property
Cp,gas	548.57	J/mol×K	1061.29	Joback Calculated Property
Cp,gas	552.91	J/mol×K	1105.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chlomethoxyfen.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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