Chemical Properties of (1-Chloro-1-methylethyl)benzene (CAS 934-53-2)

InChI

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

InChI Key

KPJKMUJJFXZGAX-UHFFFAOYSA-N

Formula

C9H11Cl

SMILES

CC(C)(Cl)c1ccccc1

Molecular Weight¹

154.64

CAS

934-53-2

Other Names

• Alpha,alpha-dimethylbenzyl chloride
• Benzene, (1-chloro-1-methylethyl)-

• 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_fH°_liquid : Liquid phase 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°	128.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-17.05	kJ/mol	Joback Calculated Property
ΔfH°liquid	-76.00 ± 3.00	kJ/mol	NIST
ΔfusH°	9.89	kJ/mol	Joback Calculated Property
ΔvapH°	54.70	kJ/mol	NIST
log10WS	-3.01		Crippen Calculated Property
logPoct/wat	3.161		Crippen Calculated Property
McVol	126.150	ml/mol	McGowan Calculated Property
Pc	3195.54	kPa	Joback Calculated Property
Inp	[1070.00; 1124.00]
Inp	1109.00		NIST
Inp	1070.00		NIST
Inp	1124.00		NIST
Inp	1124.00		NIST
Inp	1109.00		NIST
Tboil	466.20	K	Joback Calculated Property
Tc	694.75	K	Joback Calculated Property
Tfus	249.95	K	Joback Calculated Property
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.35; 318.38]	J/mol×K	[466.20; 694.75]
Cp,gas	245.35	J/mol×K	466.20	Joback Calculated Property
Cp,gas	260.08	J/mol×K	504.29	Joback Calculated Property
Cp,gas	273.70	J/mol×K	542.38	Joback Calculated Property
Cp,gas	286.27	J/mol×K	580.47	Joback Calculated Property
Cp,gas	297.86	J/mol×K	618.57	Joback Calculated Property
Cp,gas	308.54	J/mol×K	656.66	Joback Calculated Property
Cp,gas	318.38	J/mol×K	694.75	Joback Calculated Property
η	[0.0002573; 0.0050419]	Pa×s	[249.95; 466.20]
η	0.0050419	Pa×s	249.95	Joback Calculated Property
η	0.0022467	Pa×s	285.99	Joback Calculated Property
η	0.0011997	Pa×s	322.03	Joback Calculated Property
η	0.0007269	Pa×s	358.08	Joback Calculated Property
η	0.0004827	Pa×s	394.12	Joback Calculated Property
η	0.0003433	Pa×s	430.16	Joback Calculated Property
η	0.0002573	Pa×s	466.20	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[355.57; 521.02]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38272e+01
Coefficient B			-3.79701e+03
Coefficient C			-7.51370e+01
Temperature range, min.			355.57
Temperature range, max.			521.02
Pvap	1.33	kPa	355.57	Calculated Property
Pvap	3.07	kPa	373.95	Calculated Property
Pvap	6.40	kPa	392.34	Calculated Property
Pvap	12.34	kPa	410.72	Calculated Property
Pvap	22.20	kPa	429.10	Calculated Property
Pvap	37.71	kPa	447.49	Calculated Property
Pvap	60.92	kPa	465.87	Calculated Property
Pvap	94.28	kPa	484.25	Calculated Property
Pvap	140.52	kPa	502.64	Calculated Property
Pvap	202.66	kPa	521.02	Calculated Property

Similar Compounds

Find more compounds similar to (1-Chloro-1-methylethyl)benzene.

Sources

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

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