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

168.67

CAS

515-40-2

Other Names

• (2-Chloro-1,1-dimethylethyl)benzene
• («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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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
Cp,gas	[172.31; 426.45]	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			-5.16890e+01
Coefficient B			1.00754e+00
Coefficient C			-7.43600e-04
Coefficient D			2.14200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.31	J/mol×K	273.00	Calculated Property
Cp,gas	221.17	J/mol×K	353.78	Calculated Property
Cp,gas	263.30	J/mol×K	434.56	Calculated Property
Cp,gas	299.37	J/mol×K	515.33	Calculated Property
Cp,gas	330.05	J/mol×K	596.11	Calculated Property
Cp,gas	356.03	J/mol×K	676.89	Calculated Property
Cp,gas	377.99	J/mol×K	757.67	Calculated Property
Cp,gas	396.59	J/mol×K	838.44	Calculated Property
Cp,gas	412.52	J/mol×K	919.22	Calculated Property
Cp,gas	426.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049005; 0.0002202]	Pa×s	[261.22; 499.91]	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			-1.18161e+01
Coefficient B			1.69732e+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.			261.22
Temperature range, max.			499.91
η	0.0049005	Pa×s	261.22	Calculated Property
η	0.0026924	Pa×s	287.74	Calculated Property
η	0.0016366	Pa×s	314.26	Calculated Property
η	0.0010750	Pa×s	340.78	Calculated Property
η	0.0007503	Pa×s	367.31	Calculated Property
η	0.0005496	Pa×s	393.83	Calculated Property
η	0.0004188	Pa×s	420.35	Calculated Property
η	0.0003295	Pa×s	446.87	Calculated Property
η	0.0002664	Pa×s	473.39	Calculated Property
η	0.0002202	Pa×s	499.91	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[366.92; 528.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.