Chemical Properties of 1-Chloro-2-methyl-2-phenylpropane (CAS 515-40-2)

InChI

InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

InChI Key

DNXXUUPUQXSUFH-UHFFFAOYSA-N

Formula

C10H13Cl

SMILES

CC(C)(CCl)c1ccccc1

Molecular Weight¹

168.66

CAS

515-40-2

Other Names

• (2-Chloro-1,1-dimethylethyl)benzene
• («beta»-Chloro-«alpha»,«alpha»-dimethyl)ethylbenzene
• («beta»-Chloro-«alpha»,«alpha»-dimethyl)ethylbenzene
• 2-Chloromethyl-2-phenylpropane
• 2-Methyl-2-phenylpropyl chloride
• Benzene, (2-chloro-1,1-dimethylethyl)-
• NSC 54159
• Neophyl chloride
• «beta»,«beta»-Dimethylphenethyl chloride
• «beta»-Chloro-tert-butylbenzene
• «beta»,«beta»-Dimethylphenethyl chloride
• «beta»-Chloro-tert-butylbenzene

• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.27; 366.54]	J/mol×K	[489.08; 713.87]
Cp,gas	288.27	J/mol×K	489.08	Joback Calculated Property
Cp,gas	303.93	J/mol×K	526.55	Joback Calculated Property
Cp,gas	318.46	J/mol×K	564.01	Joback Calculated Property
Cp,gas	331.92	J/mol×K	601.48	Joback Calculated Property
Cp,gas	344.37	J/mol×K	638.94	Joback Calculated Property
Cp,gas	355.89	J/mol×K	676.41	Joback Calculated Property
Cp,gas	366.54	J/mol×K	713.87	Joback Calculated Property
η	[0.0002374; 0.0049005]	Pa×s	[261.22; 489.08]
η	0.0049005	Pa×s	261.22	Joback Calculated Property
η	0.0021481	Pa×s	299.20	Joback Calculated Property
η	0.0011339	Pa×s	337.17	Joback Calculated Property
η	0.0006812	Pa×s	375.15	Joback Calculated Property
η	0.0004494	Pa×s	413.13	Joback Calculated Property
η	0.0003180	Pa×s	451.10	Joback Calculated Property
η	0.0002374	Pa×s	489.08	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[368.70; 495.20]	K	[1.30; 98.80]
Tboilr	368.70	K	1.30	NIST
Tboilr	495.20	K	98.80	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[366.92; 528.24]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42756e+01
Coefficient B			-4.02631e+03
Coefficient C			-7.90800e+01
Temperature range, min.			366.92
Temperature range, max.			528.24
Pvap	1.33	kPa	366.92	Calculated Property
Pvap	3.03	kPa	384.84	Calculated Property
Pvap	6.28	kPa	402.77	Calculated Property
Pvap	12.05	kPa	420.69	Calculated Property
Pvap	21.69	kPa	438.62	Calculated Property
Pvap	36.92	kPa	456.54	Calculated Property
Pvap	59.88	kPa	474.47	Calculated Property
Pvap	93.13	kPa	492.39	Calculated Property
Pvap	139.62	kPa	510.32	Calculated Property
Pvap	202.66	kPa	528.24	Calculated Property

Similar Compounds

Find more compounds similar to 1-Chloro-2-methyl-2-phenylpropane.

Sources

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

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