Chemical Properties of Propanil (CAS 709-98-8)

InChI

InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)

InChI Key

LFULEKSKNZEWOE-UHFFFAOYSA-N

Formula

C9H9Cl2NO

SMILES

CCC(=O)Nc1ccc(Cl)c(Cl)c1

Molecular Weight¹

218.08

CAS

709-98-8

Other Names

• 3',4'-Dichloropropioanilide
• 3',4'-Dichloropropionanilide
• BAY 30130
• Cekupropanil
• Chem Rice
• DCPA
• DPA
• Dichloropropionanilide
• Dipram
• Erbanil
• FW 734
• Grascide
• Herbax
• Montrose propanil
• N-(3,4-Dichlorophenyl)propanamide
• N-(3,4-Dichlorophenyl)propionamide
• NSC 31312
• Prop job
• Propanamide, N-(3,4-dichlorophenyl)-
• Propanex
• Propanid
• Propanide
• Propanile
• Propionanilide, 3',4'-dichloro-
• Propionic acid 3,4-dichloroanilide
• Riselect
• Rogue
• S 10165
• Stam
• Stam 80EDF
• Stam F 34
• Stam LV 10
• Stam M-4
• Stampede
• Stampede 360
• Strel
• Supernox
• Surcopur
• Surpur
• Synpran N
• Wham EZ

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.42	kJ/mol	Joback Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	[-3.00; -2.88]
log10WS	-2.88		Aq. Solubility Prediction
log10WS	-3.00		Estimated Solubility
logPoct/wat	3.342		Crippen Calculated Property
McVol	149.940	ml/mol	McGowan Calculated Property
Inp	[1826.00; 1879.00]
Inp	1826.00		NIST
Inp	1874.00		NIST
Inp	1876.00		NIST
Inp	1879.00		NIST
Inp	1874.00		NIST
Inp	1826.00		NIST
Inp	1874.00		NIST
Inp	1876.00		NIST
I	[3197.00; 3197.00]
I	3197.00		NIST
I	3197.00		NIST
Tfus	[364.30; 364.50]	K
Tfus	364.30 ± 0.20	K	NIST
Tfus	364.50 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[324.74; 378.27]	J/mol×K	[621.06; 849.99]
Cp,gas	324.74	J/mol×K	621.06	Joback Calculated Property
Cp,gas	335.41	J/mol×K	659.22	Joback Calculated Property
Cp,gas	345.34	J/mol×K	697.37	Joback Calculated Property
Cp,gas	354.56	J/mol×K	735.53	Joback Calculated Property
Cp,gas	363.10	J/mol×K	773.68	Joback Calculated Property
Cp,gas	371.00	J/mol×K	811.84	Joback Calculated Property
Cp,gas	378.27	J/mol×K	849.99	Joback Calculated Property
ΔfusH	18.26	kJ/mol	363.70	NIST

Similar Compounds

Find more compounds similar to Propanil.

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.