Chemical Properties of Naphthalene, 1,5-bis(chloromethyl)- (CAS 1733-76-2)

InChI

InChI=1S/C12H10Cl2/c13-7-9-3-1-5-11-10(8-14)4-2-6-12(9)11/h1-6H,7-8H2

InChI Key

HJTAZXHBEBIQQX-UHFFFAOYSA-N

Formula

C12H10Cl2

SMILES

ClCc1cccc2c(CCl)cccc12

Molecular Weight¹

225.11

CAS

1733-76-2

Other Names

• 1,5-bis(chloromethyl)naphthalene

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[193.70; 439.57]	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			-1.89880e+01
Coefficient B			9.55800e-01
Coefficient C			-7.03640e-04
Coefficient D			2.06400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.70	J/mol×K	273.00	Calculated Property
Cp,gas	240.23	J/mol×K	353.78	Calculated Property
Cp,gas	280.42	J/mol×K	434.56	Calculated Property
Cp,gas	314.95	J/mol×K	515.33	Calculated Property
Cp,gas	344.46	J/mol×K	596.11	Calculated Property
Cp,gas	369.60	J/mol×K	676.89	Calculated Property
Cp,gas	391.03	J/mol×K	757.67	Calculated Property
Cp,gas	409.40	J/mol×K	838.44	Calculated Property
Cp,gas	425.36	J/mol×K	919.22	Calculated Property
Cp,gas	439.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014487; 0.0003426]	Pa×s	[369.00; 591.02]	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			-1.03754e+01
Coefficient B			1.41634e+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.			369.00
Temperature range, max.			591.02
η	0.0014487	Pa×s	369.00	Calculated Property
η	0.0011390	Pa×s	393.67	Calculated Property
η	0.0009213	Pa×s	418.34	Calculated Property
η	0.0007630	Pa×s	443.01	Calculated Property
η	0.0006446	Pa×s	467.68	Calculated Property
η	0.0005538	Pa×s	492.35	Calculated Property
η	0.0004828	Pa×s	517.02	Calculated Property
η	0.0004262	Pa×s	541.69	Calculated Property
η	0.0003803	Pa×s	566.35	Calculated Property
η	0.0003426	Pa×s	591.02	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1,5-bis(chloromethyl)-.

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

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