Chemical Properties of p-Chloro-N,N-dimethylaniline

InChI

InChI=1S/C8H10ClN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3

InChI Key

IONGEXNDPXANJD-UHFFFAOYSA-N

Formula

C8H10ClN

SMILES

CN(C)c1ccc(Cl)cc1

Molecular Weight¹

155.63

Other Names

• Benzenamine, 4-chloro-N,N-dimethyl-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4080		Relay (1.0) Calculated Property
PAff	922.90	kJ/mol	NIST
BasG	896.40	kJ/mol	NIST
ΔfG°	218.11	kJ/mol	Joback Calculated Property
ΔfH°gas	41.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.35	kJ/mol	Joback Calculated Property
ΔvapH°	59.61	kJ/mol	Relay (1.0) Calculated Property
IE	[7.20; 7.38]	eV
IE	7.20 ± 0.10	eV	NIST
IE	7.38	eV	NIST
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	2.406		Crippen Calculated Property
McVol	122.040	ml/mol	McGowan Calculated Property
Pc	3423.86	kPa	Joback Calculated Property
Tboil	504.20	K	NIST
Tc	714.05	K	Relay (1.0) Calculated Property
Tfus	308.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.40; 356.79]	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			-2.17900e+01
Coefficient B			7.56140e-01
Coefficient C			-5.08560e-04
Coefficient D			1.31000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.40	J/mol×K	273.00	Calculated Property
Cp,gas	187.87	J/mol×K	353.78	Calculated Property
Cp,gas	221.51	J/mol×K	434.56	Calculated Property
Cp,gas	250.74	J/mol×K	515.33	Calculated Property
Cp,gas	275.99	J/mol×K	596.11	Calculated Property
Cp,gas	297.65	J/mol×K	676.89	Calculated Property
Cp,gas	316.15	J/mol×K	757.67	Calculated Property
Cp,gas	331.89	J/mol×K	838.44	Calculated Property
Cp,gas	345.30	J/mol×K	919.22	Calculated Property
Cp,gas	356.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to p-Chloro-N,N-dimethylaniline.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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