Chemical Properties of 2,5-Dimethylbenzyl chloride (CAS 824-45-3)

InChI

InChI=1S/C9H11Cl/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3

InChI Key

PECXPZGFZFGDRD-UHFFFAOYSA-N

Formula

C9H11Cl

SMILES

Cc1ccc(C)c(CCl)c1

Molecular Weight¹

154.64

CAS

824-45-3

Other Names

• 1,4-Dimethyl-2-(chloromethyl)benzene
• 1-Chloromethyl-2,5-dimethylbenzene
• 2-Chloromethyl-p-xylene
• Benzene, 2-(chloromethyl)-1,4-dimethyl-

• 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).
• 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
ΔfG°	106.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-31.24	kJ/mol	Joback Calculated Property
ΔfusH°	16.53	kJ/mol	Joback Calculated Property
ΔvapH°	43.61	kJ/mol	Joback Calculated Property
log10WS	-3.46		Crippen Calculated Property
logPoct/wat	3.042		Crippen Calculated Property
McVol	126.150	ml/mol	McGowan Calculated Property
Pc	3025.61	kPa	Joback Calculated Property
Inp	[1228.00; 1231.00]
Inp	1231.00		NIST
Inp	1228.00		NIST
Tboil	496.70	K	NIST
Tc	695.70	K	Joback Calculated Property
Tfus	272.57	K	Joback Calculated Property
Vc	0.480	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.19; 308.45]	J/mol×K	[479.39; 695.70]
Cp,gas	243.19	J/mol×K	479.39	Joback Calculated Property
Cp,gas	255.67	J/mol×K	515.44	Joback Calculated Property
Cp,gas	267.48	J/mol×K	551.49	Joback Calculated Property
Cp,gas	278.64	J/mol×K	587.55	Joback Calculated Property
Cp,gas	289.18	J/mol×K	623.60	Joback Calculated Property
Cp,gas	299.10	J/mol×K	659.65	Joback Calculated Property
Cp,gas	308.45	J/mol×K	695.70	Joback Calculated Property
η	[0.0002356; 0.0017313]	Pa×s	[272.57; 479.39]
η	0.0017313	Pa×s	272.57	Joback Calculated Property
η	0.0010303	Pa×s	307.04	Joback Calculated Property
η	0.0006809	Pa×s	341.51	Joback Calculated Property
η	0.0004855	Pa×s	375.98	Joback Calculated Property
η	0.0003664	Pa×s	410.45	Joback Calculated Property
η	0.0002888	Pa×s	444.92	Joback Calculated Property
η	0.0002356	Pa×s	479.39	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[367.32; 529.03]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42619e+01
Coefficient B			-4.02603e+03
Coefficient C			-7.92190e+01
Temperature range, min.			367.32
Temperature range, max.			529.03
Pvap	1.33	kPa	367.32	Calculated Property
Pvap	3.03	kPa	385.29	Calculated Property
Pvap	6.28	kPa	403.26	Calculated Property
Pvap	12.06	kPa	421.22	Calculated Property
Pvap	21.71	kPa	439.19	Calculated Property
Pvap	36.94	kPa	457.16	Calculated Property
Pvap	59.91	kPa	475.13	Calculated Property
Pvap	93.16	kPa	493.09	Calculated Property
Pvap	139.64	kPa	511.06	Calculated Property
Pvap	202.65	kPa	529.03	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethylbenzyl chloride.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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