Chemical Properties of 1,4-Dichlorobenzene-D4 (CAS 3855-82-1)

InChI

InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D

InChI Key

OCJBOOLMMGQPQU-RHQRLBAQSA-N

Formula

C6H4Cl2

SMILES

[2H]c1c([2H])c(Cl)c([2H])c([2H])c1Cl

Molecular Weight¹

151.03

CAS

3855-82-1

Other Names

• 1,4-Dichloro-2,3,5,6-tetradeuterobenzene
• Benzene, 1,4-dichloro-, [2H4]

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.34	kJ/mol	Joback Calculated Property
logPoct/wat	2.993		Crippen Calculated Property
McVol	96.120	ml/mol	McGowan Calculated Property
Inp	[161.50; 161.50]
Inp	161.50		NIST
Inp	161.50		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[104.87; 223.85]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.61000e+00
Coefficient B			4.49000e-01
Coefficient C			-3.07560e-04
Coefficient D			7.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	104.87	J/mol×K	273.00	Calculated Property
Cp,gas	127.45	J/mol×K	353.78	Calculated Property
Cp,gas	147.11	J/mol×K	434.56	Calculated Property
Cp,gas	164.10	J/mol×K	515.33	Calculated Property
Cp,gas	178.66	J/mol×K	596.11	Calculated Property
Cp,gas	191.05	J/mol×K	676.89	Calculated Property
Cp,gas	201.52	J/mol×K	757.67	Calculated Property
Cp,gas	210.31	J/mol×K	838.44	Calculated Property
Cp,gas	217.67	J/mol×K	919.22	Calculated Property
Cp,gas	223.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022179; 0.0002594]	Pa×s	[256.16; 472.62]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.07965e+01
Coefficient B			1.20020e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			256.16
Temperature range, max.			472.62
η	0.0022179	Pa×s	256.16	Calculated Property
η	0.0014835	Pa×s	280.21	Calculated Property
η	0.0010574	Pa×s	304.26	Calculated Property
η	0.0007921	Pa×s	328.31	Calculated Property
η	0.0006172	Pa×s	352.36	Calculated Property
η	0.0004965	Pa×s	376.41	Calculated Property
η	0.0004099	Pa×s	400.46	Calculated Property
η	0.0003459	Pa×s	424.52	Calculated Property
η	0.0002973	Pa×s	448.57	Calculated Property
η	0.0002594	Pa×s	472.62	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dichlorobenzene-D4.

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
• Crippen Method
• Joback 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.