Chemical Properties of Benzenamine, 3-chloro-4-methyl- (CAS 95-74-9)

InChI

InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3

InChI Key

RQKFYFNZSHWXAW-UHFFFAOYSA-N

Formula

C7H8ClN

SMILES

Cc1ccc(N)cc1Cl

Molecular Weight¹

141.60

CAS

95-74-9

Other Names

• p-Toluidine, 3-chloro-
• DRC 1347
• 1-Amino-3-Chloro-4-methylbenzene
• 2-Chloro-4-aminotoluene
• 3-Chloro-p-toluidine
• 3-Chloro-4-methylaniline
• 3-Chloro-4-methylbenzenamine
• 4-Methyl-3-chloroaniline
• 3-Chloro-4-toluidine
• 4-Amino-2-chlorotoluene
• DRC 1339
• NCI-C02040
• 3-Chloro-4-methylphenylamine
• NSC 96620
• 2-chloro-4-toluidine

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-3607.00 ± 6.70	kJ/mol	NIST
ΔfH°gas	75.30 ± 7.10	kJ/mol	NIST
ΔfH°liquid	23.00 ± 6.70	kJ/mol	NIST
ΔfusH°	16.54	kJ/mol	Joback Calculated Property
ΔvapH°	61.52	kJ/mol	Relay (1.0) Calculated Property
IE	7.83	eV	Relay (1.0) Calculated Property
log10WS	-2.08		Relay (1.0) Calculated Property
logPoct/wat	2.231		Crippen Calculated Property
McVol	107.950	ml/mol	McGowan Calculated Property
Inp	[1257.30; 1257.30]
Inp	1257.30		NIST
Inp	1257.30		NIST
I	[1957.00; 1957.00]
I	1957.00		NIST
I	1957.00		NIST
I	1957.00		NIST
Tboil	510.70	K	NIST
Tfus	324.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.60; 300.10]	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			1.06000e+01
Coefficient B			5.39620e-01
Coefficient C			-3.17920e-04
Coefficient D			6.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.60	J/mol×K	273.00	Calculated Property
Cp,gas	164.72	J/mol×K	353.78	Calculated Property
Cp,gas	190.62	J/mol×K	434.56	Calculated Property
Cp,gas	213.53	J/mol×K	515.33	Calculated Property
Cp,gas	233.66	J/mol×K	596.11	Calculated Property
Cp,gas	251.23	J/mol×K	676.89	Calculated Property
Cp,gas	266.44	J/mol×K	757.67	Calculated Property
Cp,gas	279.51	J/mol×K	838.44	Calculated Property
Cp,gas	290.66	J/mol×K	919.22	Calculated Property
Cp,gas	300.10	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 3-chloro-4-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.