Chemical Properties of Benzene, 1-chloro-2-(1-methylethyl)-

InChI

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

InChI Key

RNEMUWDQJSRDMQ-UHFFFAOYSA-N

Formula

C9H11Cl

SMILES

CC(C)c1ccccc1Cl

Molecular Weight¹

154.64

Other Names

• Cumene, o-chloro-
• o-Chlorocumene
• 2-Chloroisopropylbenzene
• 2-chlorocumene

• 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_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).
• 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).
• 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	0.3256		Relay (1.0) Calculated Property
ΔfG°	113.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-36.79	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-79.40; -74.80]	kJ/mol
ΔfH°liquid	-79.40 ± 2.10	kJ/mol	NIST
ΔfH°liquid	-74.80 ± 1.90	kJ/mol	NIST
ΔfH°liquid	-74.80 ± 1.90	kJ/mol	NIST
ΔfusH°	13.39	kJ/mol	Joback Calculated Property
ΔvapH°	51.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-3.91		Relay (1.0) Calculated Property
logPoct/wat	3.463		Crippen Calculated Property
McVol	126.150	ml/mol	McGowan Calculated Property
Pc	3103.64	kPa	Joback Calculated Property
Inp	[1102.00; 1102.00]
Inp	1102.00		NIST
Inp	1102.00		NIST
Tboil	[464.15; 464.30]	K
Tboil	464.30	K	NIST
Tboil	464.15 ± 2.00	K	NIST
Tc	688.13	K	Relay (1.0) Calculated Property
Tfus	235.33	K	Relay (1.0) Calculated Property
Vc	0.458	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.16; 311.86]	J/mol×K	[474.17; 694.40]
Cp,gas	243.16	J/mol×K	474.17	Joback Calculated Property
Cp,gas	256.48	J/mol×K	510.87	Joback Calculated Property
Cp,gas	269.01	J/mol×K	547.58	Joback Calculated Property
Cp,gas	280.78	J/mol×K	584.28	Joback Calculated Property
Cp,gas	291.82	J/mol×K	620.99	Joback Calculated Property
Cp,gas	302.17	J/mol×K	657.69	Joback Calculated Property
Cp,gas	311.86	J/mol×K	694.40	Joback Calculated Property
η	[0.0002330; 0.0033321]	Pa×s	[245.05; 474.17]
η	0.0033321	Pa×s	245.05	Joback Calculated Property
η	0.0015861	Pa×s	283.24	Joback Calculated Property
η	0.0009007	Pa×s	321.42	Joback Calculated Property
η	0.0005767	Pa×s	359.61	Joback Calculated Property
η	0.0004023	Pa×s	397.80	Joback Calculated Property
η	0.0002989	Pa×s	435.98	Joback Calculated Property
η	0.0002330	Pa×s	474.17	Joback Calculated Property
ΔvapH	[47.70; 48.10]	kJ/mol	[403.00; 435.50]
ΔvapH	48.10	kJ/mol	403.00	NIST
ΔvapH	47.70	kJ/mol	435.50	NIST

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-2-(1-methylethyl)-.

Sources

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

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