Chemical Properties of Benzene, 1-methyl-3-nitro- (CAS 99-08-1)

InChI

InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3

InChI Key

QZYHIOPPLUPUJF-UHFFFAOYSA-N

Formula

C7H7NO2

SMILES

Cc1cccc([N+](=O)[O-])c1

Molecular Weight¹

137.14

CAS

99-08-1

Other Names

• 1-methyl-3-nitrobenzene
• 3-NT
• 3-NT (3-nitrotoluene)
• 3-Nitrotoluol
• 3-methyl-1-nitrobenzene
• 3-methylnitrobenzene
• 3-nitrotoluene
• MNT
• Toluene, m-nitro-
• UN 1664
• m-methylnitrobenzene
• m-mononitrotoluene
• m-nitrotoluene
• toluene, 3-nitro-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.4381; 0.4920]
ω	0.4381		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4920		ChemSep v8.3 pure component data Compiled value
ΔcH°liquid	[-3737.00; -3721.90]	kJ/mol
ΔcH°liquid	-3723.50 ± 3.30	kJ/mol	NIST
ΔcH°liquid	-3737.00	kJ/mol	NIST
ΔcH°liquid	-3721.90	kJ/mol	NIST
μ	4.23	debye	ChemSep v8.3 pure component data Compiled value
EA	[0.80; 1.18]	eV
EA	0.99 ± 0.10	eV	NIST
EA	0.98 ± 0.05	eV	NIST
EA	0.97 ± 0.03	eV	NIST
EA	0.93	eV	NIST
EA	1.18 ± 0.05	eV	NIST
EA	0.80 ± 0.10	eV	NIST
ΔfG°	150.20	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	25.80	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°liquid	-46.00	kJ/mol	NIST
ΔfusH°	18.90	kJ/mol	Joback Calculated Property
ΔvapH°	61.04	kJ/mol	Relay (1.0) Calculated Property
IE	[9.48; 9.65]	eV
IE	9.50 ± 0.10	eV	NIST
IE	9.50 ± 0.10	eV	NIST
IE	9.50	eV	NIST
IE	9.50 ± 0.10	eV	NIST
IE	Outlier 9.65 ± 0.05	eV	NIST
IE	9.48	eV	NIST
IE	9.49 ± 0.01	eV	NIST
log10WS	[-2.45; -2.44]
log10WS	-2.45		Aq. Solubility Prediction
log10WS	-2.44		Estimated Solubility
logPoct/wat	1.903		Crippen Calculated Property
McVol	103.150	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
NFPA Health	2		KDB
NFPA Safety	4		KDB
Pc	[3049.88; 3800.00]	kPa
Pc	3049.88	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3800.00	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	6.84e-03	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[202.07; 1201.00]
Inp	1201.00		NIST
Inp	202.07		NIST
Inp	1201.00		NIST
Tboil	[503.70; 505.80]	K
Tboil	504.00	K	ChemSep v8.3 pure component data Compiled value
Tboil	505.75	K	KDB
Tboil	503.70	K	NIST
Tboil	505.80	K	NIST
Tboil	503.95 ± 0.40	K	NIST
Tboil	504.00 ± 0.40	K	NIST
Tc	[725.00; 734.00]	K
Tc	725.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	734.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	[288.59; 289.20]	K
Tfus	288.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	288.65	K	ChemSep v8.3 pure component data Compiled value
Tfus	289.20	K	KDB
Tfus	288.90	K	Aq. Solubility Prediction
Tfus	288.59 ± 0.20	K	NIST
Tfus	289.00 ± 2.00	K	NIST
Ttriple	289.20	K	ChemSep v8.3 pure component data Compiled value
UQi	3.27		ChemSep v8.3 pure component data Compiled value
URi	4.28		ChemSep v8.3 pure component data Compiled value
Vc	[0.400; 0.441]	m3/kmol
Vc	0.400	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.441	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2750000		ChemSep v8.3 pure component data Compiled value
Zra	0.25		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	202.10	J/mol×K	302.40	NIST
ΔfusH	19.20	kJ/mol	370.00	NIST
ΔvapH	[49.80; 56.60]	kJ/mol	[303.00; 429.00]
ΔvapH	56.60 ± 2.50	kJ/mol	303.00	NIST
ΔvapH	52.80	kJ/mol	424.50	NIST
ΔvapH	49.80	kJ/mol	429.00	NIST
Psub	3.39e-03	kPa	283.15	Gas Saturation Vapor Pressure Measurements of Mononitrotoluene Isomers from (283.15 to 313.15) K
Pvap	[6.48e-03; 0.19]	kPa	[290.60; 338.00]
Pvap	6.48e-03	kPa	290.60	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	8.42e-03	kPa	293.30	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.01	kPa	296.30	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.01	kPa	298.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.01	kPa	299.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.01	kPa	299.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.02	kPa	302.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.02	kPa	302.30	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.02	kPa	303.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.02	kPa	303.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.02	kPa	303.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.02	kPa	305.30	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.03	kPa	308.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.03	kPa	308.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.03	kPa	308.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.03	kPa	308.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.03	kPa	308.30	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.03	kPa	311.40	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.04	kPa	313.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.04	kPa	313.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.04	kPa	313.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.04	kPa	314.30	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.05	kPa	317.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.05	kPa	318.10	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.05	kPa	318.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.05	kPa	318.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.06	kPa	320.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.07	kPa	323.10	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.07	kPa	323.10	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.07	kPa	323.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.07	kPa	323.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.10	kPa	328.10	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.14	kPa	333.10	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.19	kPa	338.00	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
ρl	[1137.98; 1152.23]	kg/m3	[298.15; 313.15]
ρl	1152.23	kg/m3	298.15	Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
ρl	1147.67	kg/m3	303.15	Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
ρl	1147.67	kg/m3	303.15	Effect of various substituents on benzene ring and their impact on volumetric, acoustic and transport properties of binary liquid mixtures with dimethylacetamide
ρl	1147.62	kg/m3	303.15	Excess Volumes, Speeds of Sound, Isentropic Compressibilities, and Viscosities of Binary Mixtures of Acetophenone with Chlorotoluenes and Nitrotoluenes at 303.15 K
ρl	1142.67	kg/m3	308.15	Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
ρl	1137.98	kg/m3	313.15	Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol

Datasets

Viscosity, Pa*s

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Viscosity, Pa*s - Liquid
101.00	303.15	0.0018
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.57; 348.64]	J/mol×K	[273.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.26830e+02
Coefficient B			-1.05350e+03
Coefficient C			7.07424e+00
Coefficient D			-1.13080e-03
Coefficient E			3.22720e-07
Temperature range, min.			273.00
Temperature range, max.			1500.00
Cp,gas	145.57	J/mol×K	273.00	Calculated Property
Cp,gas	186.67	J/mol×K	409.33	Calculated Property
Cp,gas	228.59	J/mol×K	545.67	Calculated Property
Cp,gas	262.26	J/mol×K	682.00	Calculated Property
Cp,gas	287.22	J/mol×K	818.33	Calculated Property
Cp,gas	305.46	J/mol×K	954.67	Calculated Property
Cp,gas	319.13	J/mol×K	1091.00	Calculated Property
Cp,gas	330.02	J/mol×K	1227.33	Calculated Property
Cp,gas	339.51	J/mol×K	1363.67	Calculated Property
Cp,gas	348.64	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[205.59; 303.34]	J/mol×K	[289.20; 550.50]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.65480e+02
Coefficient B			6.78600e+02
Coefficient C			-4.21016e+00
Coefficient D			2.45790e-02
Coefficient E			-1.85680e-05
Temperature range, min.			289.20
Temperature range, max.			550.50
Cp,liquid	205.59	J/mol×K	289.20	Calculated Property
Cp,liquid	213.12	J/mol×K	318.23	Calculated Property
Cp,liquid	222.32	J/mol×K	347.27	Calculated Property
Cp,liquid	233.04	J/mol×K	376.30	Calculated Property
Cp,liquid	245.01	J/mol×K	405.33	Calculated Property
Cp,liquid	257.79	J/mol×K	434.37	Calculated Property
Cp,liquid	270.79	J/mol×K	463.40	Calculated Property
Cp,liquid	283.26	J/mol×K	492.43	Calculated Property
Cp,liquid	294.40	J/mol×K	521.47	Calculated Property
Cp,liquid	303.34	J/mol×K	550.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025871; 0.0000489]	Pa×s	[288.15; 587.20]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.19040e+02
Coefficient B			9.32380e+03
Coefficient C			3.25060e+01
Coefficient D			-4.06090e-05
Coefficient E			2.00000e+00
Temperature range, min.			288.15
Temperature range, max.			587.20
η	0.0025871	Pa×s	288.15	Calculated Property
η	0.0013912	Pa×s	321.38	Calculated Property
η	0.0009028	Pa×s	354.61	Calculated Property
η	0.0006407	Pa×s	387.83	Calculated Property
η	0.0004668	Pa×s	421.06	Calculated Property
η	0.0003350	Pa×s	454.29	Calculated Property
η	0.0002302	Pa×s	487.52	Calculated Property
η	0.0001486	Pa×s	520.74	Calculated Property
η	0.0000890	Pa×s	553.97	Calculated Property
η	0.0000489	Pa×s	587.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[59.24; 0.00]	kJ/mol	[289.20; 734.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			1.23147e+02
Coefficient B			2.99168e+00
Coefficient C			-5.10633e+00
Coefficient D			3.43230e+00
Coefficient E			-8.44633e-01
Critical temperature, Tc (K)			7.34000e+02
Temperature range, min.			289.20
Temperature range, max.			734.00
ΔvapH	59.24	kJ/mol	289.20	Calculated Property
ΔvapH	55.66	kJ/mol	338.62	Calculated Property
ΔvapH	52.77	kJ/mol	388.04	Calculated Property
ΔvapH	50.26	kJ/mol	437.47	Calculated Property
ΔvapH	47.86	kJ/mol	486.89	Calculated Property
ΔvapH	45.23	kJ/mol	536.31	Calculated Property
ΔvapH	41.95	kJ/mol	585.73	Calculated Property
ΔvapH	37.29	kJ/mol	635.16	Calculated Property
ΔvapH	29.50	kJ/mol	684.58	Calculated Property
ΔvapH	0.00	kJ/mol	734.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[369.07; 535.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62065e+01
Coefficient B			-5.73455e+03
Coefficient C			-8.83600e+00
Temperature range, min.			369.07
Temperature range, max.			535.18
Pvap	1.33	kPa	369.07	Calculated Property
Pvap	2.90	kPa	387.53	Calculated Property
Pvap	5.85	kPa	405.98	Calculated Property
Pvap	11.12	kPa	424.44	Calculated Property
Pvap	19.99	kPa	442.90	Calculated Property
Pvap	34.26	kPa	461.35	Calculated Property
Pvap	56.29	kPa	479.81	Calculated Property
Pvap	89.09	kPa	498.27	Calculated Property
Pvap	136.38	kPa	516.72	Calculated Property
Pvap	202.63	kPa	535.18	Calculated Property
Pvap	[6.67e-03; 3800.00]	kPa	[289.20; 717.73]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.67190e+02
Coefficient B			-1.32665e+04
Coefficient C			-2.25075e+01
Coefficient D			1.46534e-05
Coefficient E			2.00000e+00
Comment			Range stopped where the equation exceeds Pc; ChemSep gives it to 734 K.
Temperature range, min.			289.20
Temperature range, max.			717.73
Pvap	6.67e-03	kPa	289.20	Calculated Property
Pvap	0.22	kPa	336.81	Calculated Property
Pvap	2.43	kPa	384.43	Calculated Property
Pvap	13.89	kPa	432.04	Calculated Property
Pvap	52.58	kPa	479.66	Calculated Property
Pvap	153.28	kPa	527.27	Calculated Property
Pvap	379.65	kPa	574.89	Calculated Property
Pvap	853.05	kPa	622.50	Calculated Property
Pvap	1819.03	kPa	670.12	Calculated Property
Pvap	3800.00	kPa	717.73	Calculated Property
Pvap	[0.02; 3757.72]	kPa	[289.20; 734.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			2.85531e+00
Coefficient B			-5.34312e+03
Coefficient C			2.04059e+00
Coefficient D			-1.50181e-06
Coefficient E			0.00000e+00
Temperature range, min.			289.20
Temperature range, max.			734.00
Pvap	0.02	kPa	289.20	Calculated Property
Pvap	0.30	kPa	338.62	Calculated Property
Pvap	2.78	kPa	388.04	Calculated Property
Pvap	15.85	kPa	437.47	Calculated Property
Pvap	63.59	kPa	486.89	Calculated Property
Pvap	197.38	kPa	536.31	Calculated Property
Pvap	503.88	kPa	585.73	Calculated Property
Pvap	1104.14	kPa	635.16	Calculated Property
Pvap	2141.12	kPa	684.58	Calculated Property
Pvap	3757.72	kPa	734.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1161.92; 310.88]	kg/m3	[288.15; 734.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			6.94909e+01
Coefficient B			2.23530e-01
Coefficient C			7.34000e+02
Coefficient D			2.56420e-01
Temperature range, min.			288.15
Temperature range, max.			734.00
ρl	1161.92	kg/m3	288.15	Calculated Property
ρl	1117.23	kg/m3	337.69	Calculated Property
ρl	1070.15	kg/m3	387.23	Calculated Property
ρl	1020.08	kg/m3	436.77	Calculated Property
ρl	966.20	kg/m3	486.31	Calculated Property
ρl	907.15	kg/m3	535.84	Calculated Property
ρl	840.63	kg/m3	585.38	Calculated Property
ρl	761.98	kg/m3	634.92	Calculated Property
ρl	658.48	kg/m3	684.46	Calculated Property
ρl	310.88	kg/m3	734.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.02]	N/m	[288.65; 505.05]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			7.40782e-02
Coefficient B			-1.11800e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			288.65
Temperature range, max.			505.05
γ	0.04	N/m	288.65	Calculated Property
γ	0.04	N/m	312.69	Calculated Property
γ	0.04	N/m	336.74	Calculated Property
γ	0.03	N/m	360.78	Calculated Property
γ	0.03	N/m	384.83	Calculated Property
γ	0.03	N/m	408.87	Calculated Property
γ	0.03	N/m	432.92	Calculated Property
γ	0.02	N/m	456.96	Calculated Property
γ	0.02	N/m	481.01	Calculated Property
γ	0.02	N/m	505.05	Calculated Property
γ	[0.04; 0.00]	N/m	[288.15; 710.53]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-2.84680e-02
Coefficient B			-3.59380e+01
Coefficient C			-2.01970e+00
Coefficient D			-1.60650e-03
Coefficient E			-6.18130e-07
Temperature range, min.			288.15
Temperature range, max.			710.53
γ	0.04	N/m	288.15	Calculated Property
γ	0.04	N/m	335.08	Calculated Property
γ	0.03	N/m	382.01	Calculated Property
γ	0.03	N/m	428.94	Calculated Property
γ	0.02	N/m	475.87	Calculated Property
γ	0.02	N/m	522.81	Calculated Property
γ	0.01	N/m	569.74	Calculated Property
γ	0.01	N/m	616.67	Calculated Property
γ	0.00	N/m	663.60	Calculated Property
γ	0.00	N/m	710.53	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.06]	W/m×K	[289.20; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			1.31820e-04
Coefficient B			9.53360e-01
Coefficient C			6.11680e+02
Coefficient D			3.22950e+04
Temperature range, min.			289.20
Temperature range, max.			1000.00
λgas	0.01	W/m×K	289.20	Calculated Property
λgas	0.01	W/m×K	368.18	Calculated Property
λgas	0.02	W/m×K	447.16	Calculated Property
λgas	0.02	W/m×K	526.13	Calculated Property
λgas	0.03	W/m×K	605.11	Calculated Property
λgas	0.03	W/m×K	684.09	Calculated Property
λgas	0.04	W/m×K	763.07	Calculated Property
λgas	0.05	W/m×K	842.04	Calculated Property
λgas	0.05	W/m×K	921.02	Calculated Property
λgas	0.06	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.14; 0.09]	W/m×K	[289.20; 587.20]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			-1.66530e-01
Coefficient B			2.51290e+00
Coefficient C			-1.05770e+00
Coefficient D			-3.59600e-04
Coefficient E			-3.02490e-07
Temperature range, min.			289.20
Temperature range, max.			587.20
λliquid	0.14	W/m×K	289.20	Calculated Property
λliquid	0.14	W/m×K	322.31	Calculated Property
λliquid	0.13	W/m×K	355.42	Calculated Property
λliquid	0.12	W/m×K	388.53	Calculated Property
λliquid	0.12	W/m×K	421.64	Calculated Property
λliquid	0.11	W/m×K	454.76	Calculated Property
λliquid	0.11	W/m×K	487.87	Calculated Property
λliquid	0.10	W/m×K	520.98	Calculated Property
λliquid	0.09	W/m×K	554.09	Calculated Property
λliquid	0.09	W/m×K	587.20	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-3-nitro-.

Mixtures

• Benzene, 1-methyl-3-nitro- + Dimethyl Sulfoxide
• Benzene, 1-methyl-3-nitro- + N,N-Dimethylacetamide
• Benzene, 1-methyl-3-nitro- + Tetrahydrofuran
• Benzyl alcohol + Benzene, 1-methyl-3-nitro-
• Benzene, 1-methyl-3-nitro- + Water
• Benzene, 1-methyl-3-nitro- + Acetophenone

Sources

• KDB Vapor Pressure Data
• 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).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Densities and ultrasonic studies for binary mixtures of tetrahydrofuran with chlorobenzenes, chlorotoluenes and nitrotoluenes at 298.15 K
• Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
• Effect of various substituents on benzene ring and their impact on volumetric, acoustic and transport properties of binary liquid mixtures with dimethylacetamide
• Volumetric, ultrasonic and viscometric studies of binary mixtures of dimethyl sulphoxide with chloro and nitro substituted aromatic hydrocarbons at T = 303.15 K
• Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
• Excess Volumes, Speeds of Sound, Isentropic Compressibilities, and Viscosities of Binary Mixtures of Acetophenone with Chlorotoluenes and Nitrotoluenes at 303.15 K
• Assessing the Salting-Out Behavior of Nitrobenzene, 2-Nitrotoluene, and 3-Nitrotoluene from Solubility Values in Pure Water and Seawater at Temperatures between (277 and 314) K
• Gas Saturation Vapor Pressure Measurements of Mononitrotoluene Isomers from (283.15 to 313.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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