Chemical Properties of Benzonitrile, 2,6-dichloro- (CAS 1194-65-6)

InChI

InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

InChI Key

YOYAIZYFCNQIRF-UHFFFAOYSA-N

Formula

C7H3Cl2N

SMILES

N#Cc1c(Cl)cccc1Cl

Molecular Weight¹

172.01

CAS

1194-65-6

Other Names

• 2,6-DBN
• 2,6-Dichlorbenzonitril
• 2,6-Dichlorobenzoic acid nitrile
• 2,6-Dichlorobenzonitrile
• BH Prefix D
• Carsoron
• Casaron
• Casoron
• Casoron 133
• Casoron G
• Casoron G4
• Code H 133
• DBN
• DBN (pesticide)
• DBN (the herbicide)
• Decabane
• Dichlobenil
• Du-Sprex
• H 1313
• H 133
• NSC 521490
• Nia 5996
• Niagara 5,996
• Niagara 5006
• Prefix D
• Surfassol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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).
• 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.
• I : 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
EA	0.70 ± 0.09	eV	NIST
ΔfG°	210.53	kJ/mol	Joback Calculated Property
ΔfH°gas	159.18	kJ/mol	Joback Calculated Property
ΔfusH°	17.05	kJ/mol	Joback Calculated Property
ΔvapH°	54.02	kJ/mol	Joback Calculated Property
IE	10.09 ± 0.05	eV	NIST
log10WS	-4.24		Aq. Sol...
logPoct/wat	2.865		Crippen Calculated Property
McVol	111.590	ml/mol	McGowan Calculated Property
Pc	3509.58	kPa	Joback Calculated Property
Inp	[1284.00; 1358.00]
Inp	1307.00		NIST
Inp	1358.00		NIST
Inp	1345.00		NIST
Inp	1345.00		NIST
Inp	1284.00		NIST
Inp	1290.00		NIST
Inp	1290.00		NIST
Inp	1345.00		NIST
I	[2084.00; 2084.00]
I	2084.00		NIST
I	2084.00		NIST
I	2084.00		NIST
Tboil	573.14	K	Joback Calculated Property
Tc	820.89	K	Joback Calculated Property
Tfus	[416.70; 417.27]	K
Tfus	417.27	K	Aq. Sol...
Tfus	417.24 ± 0.20	K	NIST
Tfus	416.70 ± 0.20	K	NIST
Vc	0.444	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.82; 233.27]	J/mol×K	[573.14; 820.89]
Cp,gas	198.82	J/mol×K	573.14	Joback Calculated Property
Cp,gas	205.80	J/mol×K	614.43	Joback Calculated Property
Cp,gas	212.24	J/mol×K	655.72	Joback Calculated Property
Cp,gas	218.19	J/mol×K	697.01	Joback Calculated Property
Cp,gas	223.66	J/mol×K	738.31	Joback Calculated Property
Cp,gas	228.67	J/mol×K	779.60	Joback Calculated Property
Cp,gas	233.27	J/mol×K	820.89	Joback Calculated Property
ΔfusH	[24.56; 26.17]	kJ/mol	[416.70; 421.20]
ΔfusH	25.94	kJ/mol	416.70	NIST
ΔfusH	26.17	kJ/mol	417.20	NIST
ΔfusH	26.17	kJ/mol	417.20	NIST
ΔfusH	24.56	kJ/mol	421.20	NIST

Similar Compounds

Find more compounds similar to Benzonitrile, 2,6-dichloro-.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction 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.