Chemical Properties of 1-Chloromethyl-4-methylnaphthalene

InChI

InChI=1S/C12H11Cl/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-7H,8H2,1H3

InChI Key

QHXSBKTZBDHBKF-UHFFFAOYSA-N

Formula

C12H11Cl

SMILES

Cc1ccc(CCl)c2ccccc12

Molecular Weight¹

190.67

• ω : Acentric Factor.
• 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).
• 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
ω	0.4578		Relay (1.0) Calculated Property
ΔfusH°	21.32	kJ/mol	Joback Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-4.68		Relay (1.0) Calculated Property
logPoct/wat	3.887		Crippen Calculated Property
McVol	148.960	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Inp	[1678.00; 1678.00]
Inp	1678.00		NIST
Inp	1678.00		NIST
Tboil	579.78	K	Relay (1.0) Calculated Property
Tc	826.23	K	Relay (1.0) Calculated Property
Tfus	330.54	K	Relay (1.0) Calculated Property
Vc	0.543	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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	[322.62; 391.88]	J/mol×K	[567.21; 803.20]
Cp,gas	322.62	J/mol×K	567.21	Joback Calculated Property
Cp,gas	336.43	J/mol×K	606.54	Joback Calculated Property
Cp,gas	349.24	J/mol×K	645.87	Joback Calculated Property
Cp,gas	361.11	J/mol×K	685.21	Joback Calculated Property
Cp,gas	372.13	J/mol×K	724.54	Joback Calculated Property
Cp,gas	382.37	J/mol×K	763.87	Joback Calculated Property
Cp,gas	391.88	J/mol×K	803.20	Joback Calculated Property
η	[0.0003183; 0.0013939]	Pa×s	[339.08; 567.21]
η	0.0013939	Pa×s	339.08	Joback Calculated Property
η	0.0009626	Pa×s	377.10	Joback Calculated Property
η	0.0007114	Pa×s	415.12	Joback Calculated Property
η	0.0005531	Pa×s	453.15	Joback Calculated Property
η	0.0004471	Pa×s	491.17	Joback Calculated Property
η	0.0003727	Pa×s	529.19	Joback Calculated Property
η	0.0003183	Pa×s	567.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Chloromethyl-4-methylnaphthalene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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