Chemical Properties of [2H9]-1-(Chloromethyl)-4-methylbenzene

InChI

InChI=1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3/i1D3,2D,3D,4D,5D,6D2

InChI Key

DMHZDOTYAVHSEH-SRDZSKBCSA-N

Formula

C8D9Cl

SMILES

Cc1ccc(CCl)cc1

Molecular Weight¹

149.67

• 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	0.3586		Relay (1.0) Calculated Property
ΔfG°	107.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-23.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.32	kJ/mol	Joback Calculated Property
ΔvapH°	53.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-3.02		Relay (1.0) Calculated Property
logPoct/wat	2.734		Crippen Calculated Property
McVol	112.060	ml/mol	McGowan Calculated Property
Pc	3431.89	kPa	Joback Calculated Property
Inp	[1074.00; 1130.00]
Inp	1130.00		NIST
Inp	1074.00		NIST
Tboil	472.65	K	Relay (1.0) Calculated Property
Tc	690.94	K	Relay (1.0) Calculated Property
Tfus	286.09	K	Relay (1.0) Calculated Property
Vc	0.410	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.89; 318.76]	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			-1.10990e+01
Coefficient B			6.32220e-01
Coefficient C			-3.95960e-04
Coefficient D			9.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.89	J/mol×K	273.00	Calculated Property
Cp,gas	167.15	J/mol×K	353.78	Calculated Property
Cp,gas	196.54	J/mol×K	434.56	Calculated Property
Cp,gas	222.36	J/mol×K	515.33	Calculated Property
Cp,gas	244.90	J/mol×K	596.11	Calculated Property
Cp,gas	264.45	J/mol×K	676.89	Calculated Property
Cp,gas	281.32	J/mol×K	757.67	Calculated Property
Cp,gas	295.80	J/mol×K	838.44	Calculated Property
Cp,gas	308.18	J/mol×K	919.22	Calculated Property
Cp,gas	318.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022898; 0.0002302]	Pa×s	[248.78; 469.00]	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			-1.09720e+01
Coefficient B			1.21720e+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.			248.78
Temperature range, max.			469.00
η	0.0022898	Pa×s	248.78	Calculated Property
η	0.0014774	Pa×s	273.25	Calculated Property
η	0.0010245	Pa×s	297.72	Calculated Property
η	0.0007510	Pa×s	322.19	Calculated Property
η	0.0005752	Pa×s	346.66	Calculated Property
η	0.0004564	Pa×s	371.12	Calculated Property
η	0.0003726	Pa×s	395.59	Calculated Property
η	0.0003114	Pa×s	420.06	Calculated Property
η	0.0002655	Pa×s	444.53	Calculated Property
η	0.0002302	Pa×s	469.00	Calculated Property

Similar Compounds

Find more compounds similar to [2H9]-1-(Chloromethyl)-4-methylbenzene.

Sources

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.