Chemical Properties of Propachlor (CAS 1918-16-7)

InChI

InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChI Key

MFOUDYKPLGXPGO-UHFFFAOYSA-N

Formula

C11H14ClNO

SMILES

CC(C)N(C(=O)CCl)c1ccccc1

Molecular Weight¹

211.69

CAS

1918-16-7

Other Names

• 2-Chloro-N-(1-methylethyl)-N-phenylacetamide
• 2-Chloro-N-isopropyl-N-phenylacetamide
• 2-Chloro-N-isopropylacetanilide
• 2-chloro-N-phenyl-N-propan-2-ylacetamide
• Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-
• Acetanilide, 2-chloro-N-isopropyl-
• Acilid
• Albrass
• Bexton
• Bexton 4L
• CP 31393
• Chloressigsaeure-N-isopropylanilid
• Kartex A
• Muharicid
• N-Isopropyl-2-chloroacetanilide
• N-Isopropyl-«alpha»-Chloroacetanilide
• Nitacid
• Niticid
• Prolex
• Propachlore
• Ramrod
• Ramrod 20G
• Ramrod 65
• Satecid
• Tripart sentinel
• «alpha»-Chloro-N-isopropylacetanilide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-189.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.58	kJ/mol	Joback Calculated Property
ΔvapH°	68.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	[-2.48; -2.48]
log10WS	-2.48		Aq. Solubility Prediction
log10WS	-2.48		Estimated Solubility
logPoct/wat	2.667		Crippen Calculated Property
McVol	165.880	ml/mol	McGowan Calculated Property
Inp	[1608.00; 1617.00]
Inp	1608.00		NIST
Inp	1617.00		NIST
Inp	1612.00		NIST
Inp	1612.00		NIST
Inp	1608.00		NIST
I	[2345.00; 2345.00]
I	2345.00		NIST
I	2345.00		NIST
Tboil	560.54	K	Relay (1.0) Calculated Property
Tfus	[351.00; 351.90]	K
Tfus	351.90 ± 0.20	K	NIST
Tfus	351.00 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[385.15; 459.62]	J/mol×K	[581.26; 798.63]
Cp,gas	385.15	J/mol×K	581.26	Joback Calculated Property
Cp,gas	399.92	J/mol×K	617.49	Joback Calculated Property
Cp,gas	413.68	J/mol×K	653.72	Joback Calculated Property
Cp,gas	426.48	J/mol×K	689.94	Joback Calculated Property
Cp,gas	438.37	J/mol×K	726.17	Joback Calculated Property
Cp,gas	449.40	J/mol×K	762.40	Joback Calculated Property
Cp,gas	459.62	J/mol×K	798.63	Joback Calculated Property
ΔfusH	26.05	kJ/mol	351.40	NIST

Similar Compounds

Find more compounds similar to Propachlor.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.