Chemical Properties of Benzene, (3-chloro-1-methylpropyl)- (CAS 13556-61-1)

InChI

InChI=1S/C10H13Cl/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3

InChI Key

UANCUAZOWOJXPU-UHFFFAOYSA-N

Formula

C10H13Cl

SMILES

CC(CCCl)c1ccccc1

Molecular Weight¹

168.66

CAS

13556-61-1

Other Names

• 1-chloro-3-phenylbutane

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.45; 425.52]	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			-2.88980e+01
Coefficient B			8.87620e-01
Coefficient C			-5.75000e-04
Coefficient D			1.41800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.45	J/mol×K	273.00	Calculated Property
Cp,gas	219.43	J/mol×K	353.78	Calculated Property
Cp,gas	259.88	J/mol×K	434.56	Calculated Property
Cp,gas	295.23	J/mol×K	515.33	Calculated Property
Cp,gas	325.93	J/mol×K	596.11	Calculated Property
Cp,gas	352.45	J/mol×K	676.89	Calculated Property
Cp,gas	375.21	J/mol×K	757.67	Calculated Property
Cp,gas	394.68	J/mol×K	838.44	Calculated Property
Cp,gas	411.30	J/mol×K	919.22	Calculated Property
Cp,gas	425.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050638; 0.0002252]	Pa×s	[243.80; 495.31]	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			-1.14161e+01
Coefficient B			1.49460e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			243.80
Temperature range, max.			495.31
η	0.0050638	Pa×s	243.80	Calculated Property
η	0.0026958	Pa×s	271.75	Calculated Property
η	0.0016142	Pa×s	299.69	Calculated Property
η	0.0010549	Pa×s	327.64	Calculated Property
η	0.0007371	Pa×s	355.58	Calculated Property
η	0.0005426	Pa×s	383.53	Calculated Property
η	0.0004164	Pa×s	411.47	Calculated Property
η	0.0003306	Pa×s	439.42	Calculated Property
η	0.0002697	Pa×s	467.36	Calculated Property
η	0.0002252	Pa×s	495.31	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (3-chloro-1-methylpropyl)-.

Sources

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

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