Chemical Properties of Chloroxuron (CAS 1982-47-4)

InChI

InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)

InChI Key

IVUXTESCPZUGJC-UHFFFAOYSA-N

Formula

C15H15ClN2O2

SMILES

CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1

Molecular Weight¹

290.75

CAS

1982-47-4

Other Names

• 1-(4-(4-Chloro-phenoxy)phenyl)-3,3-d'methyluree
• 3-(4-(4-Chloor-fenoxy)-fenyl)-1,1-dimethylureum
• 3-(4-(4-Chlor-phenoxy)-phenyl)-1,1-dimethylharnstoff
• 3-(4-(4-Chloro-fenossil)fenil)-1,1-dimetil-urea
• 3-(p-(p-Chlorophenoxy)phenyl)-1,1-dimethylurea
• 3-[4-(4-Chlorophenoxy)phenyl]-1,1-dimethylurea
• C 1983
• CIBA 1983
• Chloroxifenidim
• Chloroxyfenidim
• Chlorphencarb
• Gesamoos
• N'-4-(p-Chlorophenoxy)phenyl-N,N-dimethylurea
• N'-[4-(4-Chlorophenoxy)phenyl]-N,N-dimethylurea
• Norex
• Tenoran
• Urea, 3-[p-(p-chlorophenoxy)phenyl]-1,1-dimethyl-
• Urea, N'-[4-(4-chlorophenoxy)phenyl]-N,N-dimethyl-

• 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°	235.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-42.35	kJ/mol	Joback Calculated Property
ΔfusH°	37.01	kJ/mol	Joback Calculated Property
ΔvapH°	76.88	kJ/mol	Joback Calculated Property
log10WS	[-4.89; -4.89]
log10WS	-4.89		Aq. Sol...
log10WS	-4.89		Estimat...
logPoct/wat	4.226		Crippen Calculated Property
McVol	214.330	ml/mol	McGowan Calculated Property
Pc	2485.07	kPa	Joback Calculated Property
Inp	[1895.00; 1928.00]
Inp	1895.00		NIST
Inp	1928.00		NIST
Inp	1895.00		NIST
Tboil	782.25	K	Joback Calculated Property
Tc	1017.90	K	Joback Calculated Property
Tfus	[425.10; 425.83]	K
Tfus	425.83 ± 0.20	K	NIST
Tfus	425.10 ± 0.20	K	NIST
Vc	0.785	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[580.26; 644.39]	J/mol×K	[782.25; 1017.90]
Cp,gas	580.26	J/mol×K	782.25	Joback Calculated Property
Cp,gas	593.64	J/mol×K	821.52	Joback Calculated Property
Cp,gas	605.86	J/mol×K	860.80	Joback Calculated Property
Cp,gas	616.99	J/mol×K	900.07	Joback Calculated Property
Cp,gas	627.09	J/mol×K	939.35	Joback Calculated Property
Cp,gas	636.20	J/mol×K	978.62	Joback Calculated Property
Cp,gas	644.39	J/mol×K	1017.90	Joback Calculated Property
ΔfusH	34.87	kJ/mol	425.80	NIST

Similar Compounds

Find more compounds similar to Chloroxuron.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.