Chemical Properties of [2H9]-2-Chloro-1,4-dimethylbenzene

InChI

InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3/i1D3,2D3,3D,4D,5D

InChI Key

KZNRNQGTVRTDPN-XVGWXEQOSA-N

Formula

C8D9Cl

SMILES

Cc1ccc(C)c(Cl)c1

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	0.3437		Relay (1.0) Calculated Property
ΔfG°	97.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-16.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.94	kJ/mol	Joback Calculated Property
ΔvapH°	48.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	2.957		Crippen Calculated Property
McVol	112.060	ml/mol	McGowan Calculated Property
Pc	3372.36	kPa	Joback Calculated Property
Inp	[1044.00; 1071.00]
Inp	1071.00		NIST
Inp	1044.00		NIST
Inp	1071.00		NIST
Tboil	461.43	K	Relay (1.0) Calculated Property
Tc	681.10	K	Relay (1.0) Calculated Property
Tfus	265.18	K	Relay (1.0) Calculated Property
Vc	0.422	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.71; 261.38]	J/mol×K	[456.71; 676.40]
Cp,gas	202.71	J/mol×K	456.71	Joback Calculated Property
Cp,gas	213.95	J/mol×K	493.33	Joback Calculated Property
Cp,gas	224.57	J/mol×K	529.94	Joback Calculated Property
Cp,gas	234.60	J/mol×K	566.56	Joback Calculated Property
Cp,gas	244.07	J/mol×K	603.17	Joback Calculated Property
Cp,gas	252.99	J/mol×K	639.79	Joback Calculated Property
Cp,gas	261.38	J/mol×K	676.40	Joback Calculated Property
η	[0.0002424; 0.0016353]	Pa×s	[261.30; 456.71]
η	0.0016353	Pa×s	261.30	Joback Calculated Property
η	0.0009973	Pa×s	293.87	Joback Calculated Property
η	0.0006713	Pa×s	326.44	Joback Calculated Property
η	0.0004855	Pa×s	359.00	Joback Calculated Property
η	0.0003706	Pa×s	391.57	Joback Calculated Property
η	0.0002948	Pa×s	424.14	Joback Calculated Property
η	0.0002424	Pa×s	456.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to [2H9]-2-Chloro-1,4-dimethylbenzene.

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.