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

• 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).
• 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
ΔfG°	107.33	kJ/mol	Joback Calculated Property
ΔfH°gas	0.87	kJ/mol	Joback Calculated Property
ΔfusH°	14.32	kJ/mol	Joback Calculated Property
ΔvapH°	40.73	kJ/mol	Joback Calculated Property
log10WS	-2.98		Crippen 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	451.53	K	Joback Calculated Property
Tc	669.70	K	Joback Calculated Property
Tfus	248.78	K	Joback Calculated Property
Vc	0.424	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.26; 262.83]	J/mol×K	[451.53; 669.70]
Cp,gas	202.26	J/mol×K	451.53	Joback Calculated Property
Cp,gas	213.97	J/mol×K	487.89	Joback Calculated Property
Cp,gas	225.00	J/mol×K	524.25	Joback Calculated Property
Cp,gas	235.38	J/mol×K	560.62	Joback Calculated Property
Cp,gas	245.12	J/mol×K	596.98	Joback Calculated Property
Cp,gas	254.26	J/mol×K	633.34	Joback Calculated Property
Cp,gas	262.83	J/mol×K	669.70	Joback Calculated Property
η	[0.0002545; 0.0022898]	Pa×s	[248.78; 451.53]
η	0.0022898	Pa×s	248.78	Joback Calculated Property
η	0.0012755	Pa×s	282.57	Joback Calculated Property
η	0.0008051	Pa×s	316.36	Joback Calculated Property
η	0.0005554	Pa×s	350.15	Joback Calculated Property
η	0.0004090	Pa×s	383.95	Joback Calculated Property
η	0.0003165	Pa×s	417.74	Joback Calculated Property
η	0.0002545	Pa×s	451.53	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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