Chemical Properties of Alachlor (CAS 15972-60-8)

InChI

InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3

InChI Key

XCSGPAVHZFQHGE-UHFFFAOYSA-N

Formula

C14H20ClNO2

SMILES

CCc1cccc(CC)c1N(COC)C(=O)CCl

Molecular Weight¹

269.77

CAS

15972-60-8

Other Names

• 2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide
• 2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide
• 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
• 2-chloro-N-(methoxymethyl)-N-(2,6-diethyl-phenyl)-acetamide
• Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-
• Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-
• Alachlore
• Alanex
• Alanox
• Alatox 480
• Alazine
• Alochlor
• CP 50144
• Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid
• Lasagrin
• Lasso
• Lasso micro-tech
• Lazo
• Metachlor
• Methachlor
• Pillarzo
• alachlor [2-chloro-N-(methoxymethyl)-N-(2',6'-diethyl-phenyl)-acetamide]

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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°	25.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-311.71	kJ/mol	Joback Calculated Property
ΔfusH°	35.28	kJ/mol	Joback Calculated Property
ΔvapH°	65.94	kJ/mol	Joback Calculated Property
log10WS	[-3.26; -3.15]
log10WS	-3.15		Aq. Sol...
log10WS	-3.26		Estimat...
logPoct/wat	2.987		Crippen Calculated Property
McVol	214.020	ml/mol	McGowan Calculated Property
Pc	1968.30	kPa	Joback Calculated Property
Inp	[320.08; 1922.00]
Inp	1876.00		NIST
Inp	1897.00		NIST
Inp	1882.00		NIST
Inp	1918.00		NIST
Inp	1893.00		NIST
Inp	1903.00		NIST
Inp	1889.00		NIST
Inp	1896.00		NIST
Inp	1918.00		NIST
Inp	1922.00		NIST
Inp	1898.00		NIST
Inp	1899.00		NIST
Inp	1893.00		NIST
Inp	Outlier 320.08		NIST
Inp	1876.00		NIST
Inp	Outlier 320.08		NIST
Tboil	682.52	K	Joback Calculated Property
Tc	885.67	K	Joback Calculated Property
Tfus	[315.00; 316.71]	K
Tfus	316.71 ± 0.20	K	NIST
Tfus	315.00 ± 0.20	K	NIST
Vc	0.802	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.02; 639.32]	J/mol×K	[682.52; 885.67]
Cp,gas	561.02	J/mol×K	682.52	Joback Calculated Property
Cp,gas	576.24	J/mol×K	716.38	Joback Calculated Property
Cp,gas	590.56	J/mol×K	750.24	Joback Calculated Property
Cp,gas	604.00	J/mol×K	784.10	Joback Calculated Property
Cp,gas	616.59	J/mol×K	817.95	Joback Calculated Property
Cp,gas	628.35	J/mol×K	851.81	Joback Calculated Property
Cp,gas	639.32	J/mol×K	885.67	Joback Calculated Property
ΔfusH	[25.31; 26.70]	kJ/mol	[315.90; 317.70]
ΔfusH	25.31	kJ/mol	315.90	NIST
ΔfusH	26.70	kJ/mol	317.70	NIST
ΔvapH	85.00 ± 1.00	kJ/mol	436.00	NIST

Similar Compounds

Find more compounds similar to Alachlor.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.