Chemical Properties of 1,3-Benzenediamine, 4-methyl- (CAS 95-80-7)

InChI

InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3

InChI Key

VOZKAJLKRJDJLL-UHFFFAOYSA-N

Formula

C7H10N2

SMILES

Cc1ccc(N)cc1N

Molecular Weight¹

122.17

CAS

95-80-7

Other Names

• 1,3-Diamino-4-methylbenzene
• 1,3-benzenediamine, 4-methyl
• 2,4-Diamino-1-methylbenzene
• 2,4-Diamino-1-toluene
• 2,4-Diaminotoluen
• 2,4-Diaminotoluene
• 2,4-Diaminotoluol
• 2,4-Tolamine
• 2,4-Toluenediamine
• 2,4-Tolylenediamine
• 3-Amino-p-toluidine
• 4-Methyl-1,3-benzenediamine
• 4-Methyl-1,3-phenylenediamine
• 4-Methyl-m-phenylenediamine
• 4-m-Tolylenediamine
• 4-methyl-1,3-benzendiamine
• 5-Amino-o-toluidine
• Benzofur MT
• Brown for Fur T
• C.I. Oxidation Base 35
• C.I. Oxidation base 200
• Developer 14
• Developer B
• Developer DB
• Developer DBJ
• Developer MC
• Developer MT
• Developer MT-CF
• Developer MTD
• Developer T
• Eucanine GB
• Fouramine J
• Fourrine 94
• Fourrine M
• NCI-C02302
• Nako TMT
• Pelagol Grey J
• Pelagol J
• Pontamine Developer TN
• Rcra waste number U221
• Renal MD
• TDA
• Tertral G
• Toluene-2,4-diamine
• Toluenediamine
• Tolylene-2,4-diamine
• UN 1709
• Zoba GKE
• Zogen developer H
• m-Toluenediamine
• m-Toluylendiamin
• m-Toluylenediamine
• m-Tolylenediamine

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	234.11	kJ/mol	Joback Calculated Property
ΔfH°gas	93.36	kJ/mol	Joback Calculated Property
ΔfusH°	17.54	kJ/mol	Joback Calculated Property
ΔvapH°	56.06	kJ/mol	Joback Calculated Property
log10WS	-1.21		Crippen Calculated Property
logPoct/wat	1.159		Crippen Calculated Property
McVol	105.690	ml/mol	McGowan Calculated Property
Pc	4596.38	kPa	Joback Calculated Property
Tboil	[557.20; 565.20]	K
Tboil	557.20	K	NIST
Tboil	565.20	K	NIST
Tc	781.39	K	Joback Calculated Property
Tfus	386.63	K	Joback Calculated Property
Vc	0.378	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[237.29; 294.05]	J/mol×K	[541.26; 781.39]
Cp,gas	237.29	J/mol×K	541.26	Joback Calculated Property
Cp,gas	248.42	J/mol×K	581.28	Joback Calculated Property
Cp,gas	258.84	J/mol×K	621.30	Joback Calculated Property
Cp,gas	268.59	J/mol×K	661.32	Joback Calculated Property
Cp,gas	277.69	J/mol×K	701.34	Joback Calculated Property
Cp,gas	286.17	J/mol×K	741.37	Joback Calculated Property
Cp,gas	294.05	J/mol×K	781.39	Joback Calculated Property
ΔvapH	67.70	kJ/mol	466.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[424.29; 588.95]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55061e+01
Coefficient B			-5.08502e+03
Coefficient C			-9.01600e+01
Temperature range, min.			424.29
Temperature range, max.			588.95
Pvap	1.33	kPa	424.29	Calculated Property
Pvap	2.94	kPa	442.59	Calculated Property
Pvap	5.99	kPa	460.88	Calculated Property
Pvap	11.41	kPa	479.18	Calculated Property
Pvap	20.53	kPa	497.47	Calculated Property
Pvap	35.11	kPa	515.77	Calculated Property
Pvap	57.45	kPa	534.06	Calculated Property
Pvap	90.40	kPa	552.36	Calculated Property
Pvap	137.44	kPa	570.65	Calculated Property
Pvap	202.63	kPa	588.95	Calculated Property
Pvap	[0.08; 4244.22]	kPa	[371.25; 804.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.89998e+01
Coefficient B			-1.15775e+04
Coefficient C			-8.54954e+00
Coefficient D			1.46401e-06
Temperature range, min.			371.25
Temperature range, max.			804.00
Pvap	0.08	kPa	371.25	Calculated Property
Pvap	1.02	kPa	419.33	Calculated Property
Pvap	7.35	kPa	467.42	Calculated Property
Pvap	34.37	kPa	515.50	Calculated Property
Pvap	117.53	kPa	563.58	Calculated Property
Pvap	318.73	kPa	611.67	Calculated Property
Pvap	725.12	kPa	659.75	Calculated Property
Pvap	1441.19	kPa	707.83	Calculated Property
Pvap	2578.01	kPa	755.92	Calculated Property
Pvap	4244.22	kPa	804.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzenediamine, 4-methyl-.

Mixtures

• 1,3-Benzenediamine, 4-methyl- + Water
• 1,3-Benzenediamine, 4-methyl- + Ethanol
• 1-Propanol + 1,3-Benzenediamine, 4-methyl-
• 1,3-Benzenediamine, 4-methyl- + 1-Butanol

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Densities and Viscosities of Diaminotoluene with Water, Ethanol, Propan-1-ol, and Butan-1-ol from (293.15 to 333.15) K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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