Chemical Properties of Benzene, 1-(chloromethyl)-4-methyl- (CAS 104-82-5)

InChI

InChI=1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3

InChI Key

DMHZDOTYAVHSEH-UHFFFAOYSA-N

Formula

C8H9Cl

SMILES

Cc1ccc(CCl)cc1

Molecular Weight¹

140.61

CAS

104-82-5

Other Names

• (4-Methylphenyl)methyl chloride
• 1-(Chloromethyl)-4-methylbenzene
• 1-Methyl-4-(chloromethyl)benzene
• 4-(Chloromethyl)toluene
• 4-Methylbenzyl chloride
• NSC 46590
• p-Chloromethyltoluene
• p-Methylbenzyl chloride
• p-Tolylmethyl chloride
• p-Xylene, alpha-chloro-
• p-Xylene, «alpha»-chloro-
• p-Xylene, «alpha»-chloro-
• p-Xylyl chloride
• p-Xylyl-«alpha»-chloride
• p-Xylyl-«alpha»-chloride
• «alpha»-Chloro-p-xylene
• «alpha»-Chloro-p-xylene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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	0.3586		Relay (1.0) Calculated Property
ΔfG°	107.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-23.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.32	kJ/mol	Joback Calculated Property
ΔvapH°	52.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.79 ± 0.03	eV	NIST
log10WS	-3.02		Relay (1.0) Calculated Property
logPoct/wat	2.734		Crippen Calculated Property
McVol	112.060	ml/mol	McGowan Calculated Property
Pc	3431.89	kPa	Joback Calculated Property
Inp	[1080.00; 1136.00]
Inp	1136.00		NIST
Inp	1080.00		NIST
Inp	1094.00		NIST
Inp	1088.00		NIST
Inp	1096.00		NIST
Inp	1098.00		NIST
Inp	1084.00		NIST
Inp	1136.00		NIST
Tboil	474.20	K	NIST
Tc	687.76	K	Relay (1.0) Calculated Property
Tfus	294.39	K	Relay (1.0) Calculated Property
Vc	0.408	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.26; 262.83]	J/mol×K	[451.53; 669.70]
Cp,gas	202.26	J/mol×K	451.53	Joback Calculated Property
Cp,gas	213.97	J/mol×K	487.89	Joback Calculated Property
Cp,gas	225.00	J/mol×K	524.25	Joback Calculated Property
Cp,gas	235.38	J/mol×K	560.62	Joback Calculated Property
Cp,gas	245.12	J/mol×K	596.98	Joback Calculated Property
Cp,gas	254.26	J/mol×K	633.34	Joback Calculated Property
Cp,gas	262.83	J/mol×K	669.70	Joback Calculated Property
η	[0.0002545; 0.0022898]	Pa×s	[248.78; 451.53]
η	0.0022898	Pa×s	248.78	Joback Calculated Property
η	0.0012755	Pa×s	282.57	Joback Calculated Property
η	0.0008051	Pa×s	316.36	Joback Calculated Property
η	0.0005554	Pa×s	350.15	Joback Calculated Property
η	0.0004090	Pa×s	383.95	Joback Calculated Property
η	0.0003165	Pa×s	417.74	Joback Calculated Property
η	0.0002545	Pa×s	451.53	Joback Calculated Property
ΔvapH	44.90	kJ/mol	416.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[349.32; 505.48]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42021e+01
Coefficient B			-3.84537e+03
Coefficient C			-7.29640e+01
Temperature range, min.			349.32
Temperature range, max.			505.48
Pvap	1.33	kPa	349.32	Calculated Property
Pvap	3.03	kPa	366.67	Calculated Property
Pvap	6.30	kPa	384.02	Calculated Property
Pvap	12.10	kPa	401.37	Calculated Property
Pvap	21.77	kPa	418.72	Calculated Property
Pvap	37.04	kPa	436.08	Calculated Property
Pvap	60.04	kPa	453.43	Calculated Property
Pvap	93.31	kPa	470.78	Calculated Property
Pvap	139.75	kPa	488.13	Calculated Property
Pvap	202.64	kPa	505.48	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(chloromethyl)-4-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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