Chemical Properties of Dichlone (CAS 117-80-6)

InChI

InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H

InChI Key

SVPKNMBRVBMTLB-UHFFFAOYSA-N

Formula

C10H4Cl2O2

SMILES

O=C1C(Cl)=C(Cl)C(=O)c2ccccc21

Molecular Weight¹

227.04

CAS

117-80-6

Other Names

• 1,4-naphthalenedione, 2,3-dichloro-
• 1,4-naphthoquinone, 2,3-dichloro-
• 2,3-Dichlor-1,4-naftochinon
• 2,3-Dichlor-1,4-naphthochinon
• 2,3-Dichloro-1,4-naphthaquinone
• 2,3-Dichloro-1,4-naphthoquinone (dichlone)
• 2,3-Dichloro-«alpha»-naphthoquinone
• 2,3-Dichloronaphthoquinone
• 2,3-Dichloronaphthoquinone-1,4
• 2,3-dichloro-1,4-naphthalenedione
• 2,3-dichloro-1,4-naphthoquinone
• Algistat
• CNQ
• Compound 604
• Dichloronaphthoquinone
• Diclone
• ENT 3,776
• Latka 604
• NSC 537
• Phygon
• Phygon Seed Protectant
• Phygon XL
• Phygon paste
• Quintar
• Quintar 540F
• Sanquinon
• U.S. rubber 604
• USR 604
• Uniroyal

• 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.
• 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	2.21 ± 0.10	eV	NIST
ΔfG°	-65.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.73	kJ/mol	Joback Calculated Property
ΔfusH°	18.13	kJ/mol	Joback Calculated Property
ΔvapH°	60.07	kJ/mol	Joback Calculated Property
IE	[9.50; 9.67]	eV
IE	9.50	eV	NIST
IE	9.67 ± 0.02	eV	NIST
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	2.755		Crippen Calculated Property
McVol	140.460	ml/mol	McGowan Calculated Property
Pc	3577.07	kPa	Joback Calculated Property
Inp	[1760.00; 1760.00]
Inp	1760.00		NIST
Inp	1760.00		NIST
Inp	1760.00		NIST
Tboil	695.16	K	Joback Calculated Property
Tc	968.50	K	Joback Calculated Property
Tfus	469.56 ± 0.20	K	NIST
Vc	0.535	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[311.43; 362.44]	J/mol×K	[695.16; 968.50]
Cp,gas	311.43	J/mol×K	695.16	Joback Calculated Property
Cp,gas	322.36	J/mol×K	740.72	Joback Calculated Property
Cp,gas	332.36	J/mol×K	786.27	Joback Calculated Property
Cp,gas	341.39	J/mol×K	831.83	Joback Calculated Property
Cp,gas	349.43	J/mol×K	877.39	Joback Calculated Property
Cp,gas	356.46	J/mol×K	922.94	Joback Calculated Property
Cp,gas	362.44	J/mol×K	968.50	Joback Calculated Property
ΔfusH	[28.53; 28.53]	kJ/mol	[469.00; 469.00]
ΔfusH	28.53	kJ/mol	469.00	NIST
ΔfusH	28.53	kJ/mol	469.00	NIST

Similar Compounds

Find more compounds similar to Dichlone.

Mixtures

• Carbon dioxide + Dichlone

Sources

• Crippen Method
• Crippen Method
• Solubility of menadione and dichlone in supercritical carbon dioxide
• Joback Method
• McGowan Method
• NIST Webbook

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