Chemical Properties of Benzene, (2-chloropropyl)- (CAS 10304-81-1)

InChI

InChI=1S/C9H11Cl/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3

InChI Key

CKWAHIDVXZGPES-UHFFFAOYSA-N

Formula

C9H11Cl

SMILES

CC(Cl)Cc1ccccc1

Molecular Weight¹

154.64

CAS

10304-81-1

Other Names

• (2-Chloropropyl)benzene
• 1-Phenyl-2-chloropropane
• 2-Chloro-1-phenylpropane

• 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	0.3564		Relay (1.0) Calculated Property
ΔfG°	122.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-27.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.78	kJ/mol	Joback Calculated Property
ΔvapH°	54.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-3.03		Relay (1.0) Calculated Property
logPoct/wat	2.856		Crippen Calculated Property
McVol	126.150	ml/mol	McGowan Calculated Property
Pc	3156.17	kPa	Joback Calculated Property
Inp	[1127.00; 1138.00]
Inp	1138.00		NIST
Inp	1127.00		NIST
Inp	1127.00		NIST
Tboil	483.16	K	Relay (1.0) Calculated Property
Tc	692.70	K	Relay (1.0) Calculated Property
Tfus	230.51	K	Relay (1.0) Calculated Property
Vc	0.453	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.24; 373.93]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.79890e+01
Coefficient B			7.92620e-01
Coefficient C			-5.20600e-04
Coefficient D			1.29900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.24	J/mol×K	273.00	Calculated Property
Cp,gas	193.02	J/mol×K	353.78	Calculated Property
Cp,gas	228.80	J/mol×K	434.56	Calculated Property
Cp,gas	260.00	J/mol×K	515.33	Calculated Property
Cp,gas	287.02	J/mol×K	596.11	Calculated Property
Cp,gas	310.29	J/mol×K	676.89	Calculated Property
Cp,gas	330.20	J/mol×K	757.67	Calculated Property
Cp,gas	347.17	J/mol×K	838.44	Calculated Property
Cp,gas	361.61	J/mol×K	919.22	Calculated Property
Cp,gas	373.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050859; 0.0002257]	Pa×s	[232.53; 481.65]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.13039e+01
Coefficient B			1.40044e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			232.53
Temperature range, max.			481.65
η	0.0050859	Pa×s	232.53	Calculated Property
η	0.0026800	Pa×s	260.21	Calculated Property
η	0.0015974	Pa×s	287.89	Calculated Property
η	0.0010426	Pa×s	315.57	Calculated Property
η	0.0007289	Pa×s	343.25	Calculated Property
η	0.0005376	Pa×s	370.93	Calculated Property
η	0.0004136	Pa×s	398.61	Calculated Property
η	0.0003292	Pa×s	426.29	Calculated Property
η	0.0002695	Pa×s	453.97	Calculated Property
η	0.0002257	Pa×s	481.65	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (2-chloropropyl)-.

Sources

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

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