Chemical Properties of 1-Chloromethyl-4-methylnaphthalene (CAS 5261-50-7)

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

CAS

5261-50-7

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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
ω	0.4578		Relay (1.0) Calculated Property
ΔfG°	238.03	kJ/mol	Joback Calculated Property
ΔfH°gas	42.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.32	kJ/mol	Joback Calculated Property
ΔvapH°	74.24	kJ/mol	Relay (1.0) 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	824.75	K	Relay (1.0) Calculated Property
Tfus	337.44	K	Relay (1.0) Calculated Property
Vc	0.543	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.55; 391.82]	J/mol×K	[567.01; 802.92]
Cp,gas	322.55	J/mol×K	567.01	Joback Calculated Property
Cp,gas	336.36	J/mol×K	606.33	Joback Calculated Property
Cp,gas	349.17	J/mol×K	645.65	Joback Calculated Property
Cp,gas	361.04	J/mol×K	684.97	Joback Calculated Property
Cp,gas	372.06	J/mol×K	724.28	Joback Calculated Property
Cp,gas	382.30	J/mol×K	763.60	Joback Calculated Property
Cp,gas	391.82	J/mol×K	802.92	Joback Calculated Property
η	[0.0003186; 0.0013939]	Pa×s	[339.08; 567.01]
η	0.0013939	Pa×s	339.08	Joback Calculated Property
η	0.0009629	Pa×s	377.07	Joback Calculated Property
η	0.0007117	Pa×s	415.06	Joback Calculated Property
η	0.0005535	Pa×s	453.05	Joback Calculated Property
η	0.0004475	Pa×s	491.03	Joback Calculated Property
η	0.0003730	Pa×s	529.02	Joback Calculated Property
η	0.0003186	Pa×s	567.01	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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