Chemical Properties of Chloroneb (CAS 2675-77-6)

InChI

InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3

InChI Key

PFIADAMVCJPXSF-UHFFFAOYSA-N

Formula

C8H8Cl2O2

SMILES

COc1cc(Cl)c(OC)cc1Cl

Molecular Weight¹

207.05

CAS

2675-77-6

Other Names

• 1,4-Dichloro-2,5-dimethoxybenzene
• Benzene, 1,4-dichloro-2,5-dimethoxy-
• Chloronebe
• Demasan
• Demosan
• Demosan 65W
• NSC 151546
• Soil Fungicide 1823
• Terraneb SP
• Tersan SP

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.12	kJ/mol	Joback Calculated Property
ΔvapH°	69.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-4.41		Aq. Solubility Prediction
logPoct/wat	3.011		Crippen Calculated Property
McVol	136.040	ml/mol	McGowan Calculated Property
Inp	[1464.00; 1509.00]
Inp	1508.00		NIST
Inp	1505.00		NIST
Inp	1508.00		NIST
Inp	1509.00		NIST
Inp	1508.00		NIST
Inp	Outlier 1464.00		NIST
Tboil	520.96	K	Relay (1.0) Calculated Property
Tc	753.23	K	Relay (1.0) Calculated Property
Tfus	[404.16; 404.40]	K
Tfus	404.16 ± 0.20	K	NIST
Tfus	404.40 ± 0.20	K	NIST

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation 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	[268.54; 321.95]	J/mol×K	[543.96; 765.64]
Cp,gas	268.54	J/mol×K	543.96	Joback Calculated Property
Cp,gas	278.58	J/mol×K	580.91	Joback Calculated Property
Cp,gas	288.19	J/mol×K	617.85	Joback Calculated Property
Cp,gas	297.35	J/mol×K	654.80	Joback Calculated Property
Cp,gas	306.04	J/mol×K	691.75	Joback Calculated Property
Cp,gas	314.25	J/mol×K	728.69	Joback Calculated Property
Cp,gas	321.95	J/mol×K	765.64	Joback Calculated Property
η	[0.0001751; 0.0008515]	Pa×s	[348.20; 543.96]
η	0.0008515	Pa×s	348.20	Joback Calculated Property
η	0.0005844	Pa×s	380.83	Joback Calculated Property
η	0.0004256	Pa×s	413.45	Joback Calculated Property
η	0.0003247	Pa×s	446.08	Joback Calculated Property
η	0.0002570	Pa×s	478.71	Joback Calculated Property
η	0.0002096	Pa×s	511.33	Joback Calculated Property
η	0.0001751	Pa×s	543.96	Joback Calculated Property
ΔfusH	[27.56; 27.56]	kJ/mol	[403.90; 403.90]
ΔfusH	27.56	kJ/mol	403.90	NIST
ΔfusH	27.56	kJ/mol	403.90	NIST

Similar Compounds

Find more compounds similar to Chloroneb.

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