Chemical Properties of Benzene, 1-methyl-2-nitro- (CAS 88-72-2)

InChI

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

InChI Key

PLAZTCDQAHEYBI-UHFFFAOYSA-N

Formula

C7H7NO2

SMILES

Cc1ccccc1[N+](=O)[O-]

Molecular Weight¹

137.14

CAS

88-72-2

Other Names

• 1-methyl-2-nitrobenzene
• 2-NT
• 2-NT (2-nitrotoluene)
• 2-methyl-1-nitrobenzene
• 2-methylnitrobenzene
• 2-nitrotoluene
• NSC 9577
• ONT
• o-methylnitrobenzene
• o-mononitrotoluene
• o-nitrotoluene
• toluene, o-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_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).
• 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_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : 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	[0.4390; 0.4878]
ω	0.4390		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4878		ChemSep v8.3 pure component data Compiled value
ΔcH°liquid	[-3754.00; -3745.30]	kJ/mol
ΔcH°liquid	-3745.30 ± 3.80	kJ/mol	NIST
ΔcH°liquid	-3754.00	kJ/mol	NIST
μ	3.75	debye	ChemSep v8.3 pure component data Compiled value
EA	[0.88; 1.24]	eV
EA	0.92 ± 0.10	eV	NIST
EA	0.95 ± 0.05	eV	NIST
EA	0.88 ± 0.03	eV	NIST
EA	1.24 ± 0.05	eV	NIST
ΔfG°	171.50	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	47.10	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	18.90	kJ/mol	Joback Calculated Property
ΔvapH°	[59.10; 59.60]	kJ/mol
ΔvapH°	59.60 ± 1.60	kJ/mol	NIST
ΔvapH°	59.10 ± 0.30	kJ/mol	NIST
IE	[9.24; 10.20]	eV
IE	9.24	eV	NIST
IE	9.24	eV	NIST
IE	9.51 ± 0.03	eV	NIST
IE	9.50	eV	NIST
IE	9.43 ± 0.05	eV	NIST
IE	9.63	eV	NIST
IE	Outlier 10.20 ± 0.10	eV	NIST
IE	9.69 ± 0.01	eV	NIST
log10WS	[-2.33; -2.32]
log10WS	-2.32		Aq. Solubility Prediction
log10WS	-2.33		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	[3404.52; 3800.00]	kPa
Pc	3404.52	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	1.73e-03	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[194.65; 1155.00]
Inp	1155.00		NIST
Inp	1155.00		NIST
Inp	194.65		NIST
Inp	194.65		NIST
Ip	[1877.00; 1877.00]
Ip	1877.00		NIST
Ip	1877.00		NIST
Tboil	[494.85; 498.85]	K
Tboil	494.85	K	ChemSep v8.3 pure component data Compiled value
Tboil	494.85	K	KDB
Tboil	498.20	K	NIST
Tboil	494.90	K	NIST
Tboil	495.30 ± 0.07	K	NIST
Tboil	495.00 ± 0.30	K	NIST
Tboil	495.45 ± 0.40	K	NIST
Tboil	495.45 ± 0.50	K	NIST
Tboil	Outlier 498.85 ± 1.00	K	NIST
Tc	[720.00; 720.00]	K
Tc	720.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	720.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	[263.60; 282.60]	K
Tfus	266.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	269.65	K	ChemSep v8.3 pure component data Compiled value
Tfus	269.98	K	KDB
Tfus	270.05 ± 0.30	K	NIST
Tfus	270.25 ± 0.20	K	NIST
Tfus	269.06 ± 0.05	K	NIST
Tfus	Outlier 282.60 ± 0.50	K	NIST
Tfus	263.60 ± 0.30	K	NIST
Tfus	269.30 ± 0.30	K	NIST
Ttriple	269.98	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	0.2800000		ChemSep v8.3 pure component data Compiled value
Zra	0.28		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	202.50	J/mol×K	302.30	NIST
ΔvapH	[51.00; 59.00]	kJ/mol	[298.50; 449.00]
ΔvapH	59.00 ± 0.30	kJ/mol	298.50	NIST
ΔvapH	52.00	kJ/mol	418.00	NIST
ΔvapH	52.20	kJ/mol	440.00	NIST
ΔvapH	51.00	kJ/mol	449.00	NIST
Pvap	[3.20e-03; 0.11]	kPa	[278.30; 323.00]
Pvap	3.28e-03	kPa	278.30	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	3.20e-03	kPa	278.40	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	5.53e-03	kPa	283.15	Gas Saturation Vapor Pressure Measurements of Mononitrotoluene Isomers from (283.15 to 313.15) K
Pvap	5.26e-03	kPa	283.30	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	5.02e-03	kPa	283.30	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	8.06e-03	kPa	288.30	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	8.04e-03	kPa	288.30	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.01	kPa	293.15	Gas Saturation Vapor Pressure Measurements of Mononitrotoluene Isomers from (283.15 to 313.15) K
Pvap	0.01	kPa	293.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.01	kPa	293.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.02	kPa	298.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.02	kPa	298.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.03	kPa	303.10	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.03	kPa	303.15	Gas Saturation Vapor Pressure Measurements of Mononitrotoluene Isomers from (283.15 to 313.15) K
Pvap	0.03	kPa	303.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.04	kPa	308.10	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.04	kPa	308.20	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.06	kPa	313.10	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.06	kPa	313.10	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.06	kPa	313.15	Gas Saturation Vapor Pressure Measurements of Mononitrotoluene Isomers from (283.15 to 313.15) K
Pvap	0.08	kPa	318.00	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.08	kPa	318.10	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.11	kPa	323.00	Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
ρl	[1144.91; 1159.60]	kg/m3	[298.15; 313.15]
ρl	1159.60	kg/m3	298.15	Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
ρl	1153.29	kg/m3	303.15	Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
ρl	1153.24	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	1153.26	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	1149.78	kg/m3	308.15	Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
ρl	1144.91	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	0.0019
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	[203.15; 303.67]	J/mol×K	[269.98; 540.00]	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			1.67320e+02
Coefficient B			6.75670e+02
Coefficient C			-4.05956e+00
Coefficient D			2.37420e-02
Coefficient E			-1.74800e-05
Temperature range, min.			269.98
Temperature range, max.			540.00
Cp,liquid	203.15	J/mol×K	269.98	Calculated Property
Cp,liquid	209.50	J/mol×K	299.98	Calculated Property
Cp,liquid	217.68	J/mol×K	329.98	Calculated Property
Cp,liquid	227.60	J/mol×K	359.99	Calculated Property
Cp,liquid	239.10	J/mol×K	389.99	Calculated Property
Cp,liquid	251.87	J/mol×K	419.99	Calculated Property
Cp,liquid	265.43	J/mol×K	449.99	Calculated Property
Cp,liquid	279.13	J/mol×K	480.00	Calculated Property
Cp,liquid	292.17	J/mol×K	510.00	Calculated Property
Cp,liquid	303.67	J/mol×K	540.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041975; 0.0000504]	Pa×s	[269.98; 576.00]	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			-2.27780e+02
Coefficient B			9.56060e+03
Coefficient C			3.39540e+01
Coefficient D			-4.37900e-05
Coefficient E			2.00000e+00
Temperature range, min.			269.98
Temperature range, max.			576.00
η	0.0041975	Pa×s	269.98	Calculated Property
η	0.0019088	Pa×s	303.98	Calculated Property
η	0.0011351	Pa×s	337.98	Calculated Property
η	0.0007701	Pa×s	371.99	Calculated Property
η	0.0005475	Pa×s	405.99	Calculated Property
η	0.0003864	Pa×s	439.99	Calculated Property
η	0.0002610	Pa×s	473.99	Calculated Property
η	0.0001648	Pa×s	508.00	Calculated Property
η	0.0000956	Pa×s	542.00	Calculated Property
η	0.0000504	Pa×s	576.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[58.85; 0.00]	kJ/mol	[269.98; 720.00]	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			7.85301e+01
Coefficient B			9.59622e-01
Coefficient C			-1.26321e+00
Coefficient D			1.07312e+00
Coefficient E			-4.36452e-01
Critical temperature, Tc (K)			7.20000e+02
Temperature range, min.			269.98
Temperature range, max.			720.00
ΔvapH	58.85	kJ/mol	269.98	Calculated Property
ΔvapH	56.11	kJ/mol	319.98	Calculated Property
ΔvapH	53.40	kJ/mol	369.98	Calculated Property
ΔvapH	50.64	kJ/mol	419.99	Calculated Property
ΔvapH	47.72	kJ/mol	469.99	Calculated Property
ΔvapH	44.55	kJ/mol	519.99	Calculated Property
ΔvapH	40.92	kJ/mol	569.99	Calculated Property
ΔvapH	36.44	kJ/mol	620.00	Calculated Property
ΔvapH	29.93	kJ/mol	670.00	Calculated Property
ΔvapH	0.00	kJ/mol	720.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[381.70; 524.76]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40926e+01
Coefficient B			-3.45189e+03
Coefficient C			-1.31655e+02
Temperature range, min.			381.70
Temperature range, max.			524.76
Pvap	1.33	kPa	381.70	Calculated Property
Pvap	3.04	kPa	397.60	Calculated Property
Pvap	6.33	kPa	413.49	Calculated Property
Pvap	12.17	kPa	429.39	Calculated Property
Pvap	21.89	kPa	445.28	Calculated Property
Pvap	37.23	kPa	461.18	Calculated Property
Pvap	60.29	kPa	477.07	Calculated Property
Pvap	93.58	kPa	492.97	Calculated Property
Pvap	139.97	kPa	508.86	Calculated Property
Pvap	202.65	kPa	524.76	Calculated Property
Pvap	[1.16e-03; 3835.31]	kPa	[265.00; 720.00]	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			1.03588e+02
Coefficient B			-1.03562e+04
Coefficient C			-1.28621e+01
Coefficient D			7.08083e-06
Coefficient E			2.00000e+00
Temperature range, min.			265.00
Temperature range, max.			720.00
Pvap	1.16e-03	kPa	265.00	Calculated Property
Pvap	0.08	kPa	315.56	Calculated Property
Pvap	1.39	kPa	366.11	Calculated Property
Pvap	10.75	kPa	416.67	Calculated Property
Pvap	49.77	kPa	467.22	Calculated Property
Pvap	164.47	kPa	517.78	Calculated Property
Pvap	433.74	kPa	568.33	Calculated Property
Pvap	982.27	kPa	618.89	Calculated Property
Pvap	2007.79	kPa	669.44	Calculated Property
Pvap	3835.31	kPa	720.00	Calculated Property
Pvap	[2.46e-03; 3768.68]	kPa	[269.98; 720.00]	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			4.91453e+01
Coefficient B			-7.84782e+03
Coefficient C			-4.67886e+00
Coefficient D			1.48976e-06
Coefficient E			0.00000e+00
Temperature range, min.			269.98
Temperature range, max.			720.00
Pvap	2.46e-03	kPa	269.98	Calculated Property
Pvap	0.11	kPa	319.98	Calculated Property
Pvap	1.60	kPa	369.98	Calculated Property
Pvap	11.72	kPa	419.99	Calculated Property
Pvap	53.99	kPa	469.99	Calculated Property
Pvap	180.41	kPa	519.99	Calculated Property
Pvap	478.56	kPa	569.99	Calculated Property
Pvap	1071.05	kPa	620.00	Calculated Property
Pvap	2109.60	kPa	670.00	Calculated Property
Pvap	3768.68	kPa	720.00	Calculated Property
Pvap	[6.13; 100.94]	kPa	[402.46; 495.30]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.21877e+01
Coefficient B			-2.60348e+03
Coefficient C			-1.51524e+02
Reference			Dreisbach and Shrader, 1949
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			402.46
Temperature range, max.			495.30
Pvap	6.13	kPa	402.46	Calculated Property
Pvap	9.23	kPa	412.78	Calculated Property
Pvap	13.48	kPa	423.09	Calculated Property
Pvap	19.14	kPa	433.41	Calculated Property
Pvap	26.52	kPa	443.72	Calculated Property
Pvap	35.93	kPa	454.04	Calculated Property
Pvap	47.72	kPa	464.35	Calculated Property
Pvap	62.24	kPa	474.67	Calculated Property
Pvap	79.86	kPa	484.98	Calculated Property
Pvap	100.94	kPa	495.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1185.08; 310.82]	kg/m3	[269.98; 720.00]	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			6.79193e+01
Coefficient B			2.18520e-01
Coefficient C			7.20000e+02
Coefficient D			2.72020e-01
Temperature range, min.			269.98
Temperature range, max.			720.00
ρl	1185.08	kg/m3	269.98	Calculated Property
ρl	1136.11	kg/m3	319.98	Calculated Property
ρl	1084.77	kg/m3	369.98	Calculated Property
ρl	1030.50	kg/m3	419.99	Calculated Property
ρl	972.44	kg/m3	469.99	Calculated Property
ρl	909.26	kg/m3	519.99	Calculated Property
ρl	838.68	kg/m3	569.99	Calculated Property
ρl	756.10	kg/m3	620.00	Calculated Property
ρl	648.98	kg/m3	670.00	Calculated Property
ρl	310.82	kg/m3	720.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.05; 0.02]	N/m	[263.15; 495.15]	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			7.61678e-02
Coefficient B			-1.17400e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			263.15
Temperature range, max.			495.15
γ	0.05	N/m	263.15	Calculated Property
γ	0.04	N/m	288.93	Calculated Property
γ	0.04	N/m	314.71	Calculated Property
γ	0.04	N/m	340.48	Calculated Property
γ	0.03	N/m	366.26	Calculated Property
γ	0.03	N/m	392.04	Calculated Property
γ	0.03	N/m	417.82	Calculated Property
γ	0.02	N/m	443.59	Calculated Property
γ	0.02	N/m	469.37	Calculated Property
γ	0.02	N/m	495.15	Calculated Property
γ	[0.04; 5.22e-06]	N/m	[269.98; 715.05]	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			-7.84600e-02
Coefficient B			-3.28480e+01
Coefficient C			-1.59680e+00
Coefficient D			-1.50310e-03
Coefficient E			3.37240e-07
Comment			Range stopped where the equation turns negative; ChemSep gives it to 720 K.
Temperature range, min.			269.98
Temperature range, max.			715.05
γ	0.04	N/m	269.98	Calculated Property
γ	0.04	N/m	319.43	Calculated Property
γ	0.03	N/m	368.88	Calculated Property
γ	0.03	N/m	418.34	Calculated Property
γ	0.02	N/m	467.79	Calculated Property
γ	0.02	N/m	517.24	Calculated Property
γ	0.01	N/m	566.69	Calculated Property
γ	0.01	N/m	616.15	Calculated Property
γ	0.00	N/m	665.60	Calculated Property
γ	5.22e-06	N/m	715.05	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.06]	W/m×K	[269.98; 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			1.35010e-04
Coefficient B			9.52520e-01
Coefficient C			6.32430e+02
Coefficient D			2.70800e+04
Temperature range, min.			269.98
Temperature range, max.			1000.00
λgas	0.01	W/m×K	269.98	Calculated Property
λgas	0.01	W/m×K	351.09	Calculated Property
λgas	0.02	W/m×K	432.21	Calculated Property
λgas	0.02	W/m×K	513.32	Calculated Property
λgas	0.03	W/m×K	594.43	Calculated Property
λgas	0.03	W/m×K	675.55	Calculated Property
λgas	0.04	W/m×K	756.66	Calculated Property
λgas	0.05	W/m×K	837.77	Calculated Property
λgas	0.05	W/m×K	918.89	Calculated Property
λgas	0.06	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.16; 0.09]	W/m×K	[216.00; 576.00]	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			-2.80050e-01
Coefficient B			2.04550e+01
Coefficient C			-9.04780e-01
Coefficient D			4.93770e-05
Coefficient E			-4.80220e-07
Temperature range, min.			216.00
Temperature range, max.			576.00
λliquid	0.16	W/m×K	216.00	Calculated Property
λliquid	0.15	W/m×K	256.00	Calculated Property
λliquid	0.14	W/m×K	296.00	Calculated Property
λliquid	0.13	W/m×K	336.00	Calculated Property
λliquid	0.13	W/m×K	376.00	Calculated Property
λliquid	0.12	W/m×K	416.00	Calculated Property
λliquid	0.11	W/m×K	456.00	Calculated Property
λliquid	0.10	W/m×K	496.00	Calculated Property
λliquid	0.10	W/m×K	536.00	Calculated Property
λliquid	0.09	W/m×K	576.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-2-nitro-.

Mixtures

• Benzene, 1-methyl-2-nitro- + Dimethyl Sulfoxide
• Benzene, 1-methyl-2-nitro- + N,N-Dimethylacetamide
• Benzene, 1-methyl-2-nitro- + Tetrahydrofuran
• Benzene, 1-methyl-2-nitro- + Benzyl alcohol
• Benzene, 1-methyl-2-nitro- + 1H-Imidazole, 2-methyl-
• 1H-Benzimidazole + Benzene, 1-methyl-2-nitro-
• Benzene, 1-methyl-2-nitro- + 1H-Benzimidazole, 2-methyl-
• Benzene, 1-methyl-2-nitro- + 1H-Imidazole
• Benzene, 1-methyl-2-nitro- + 2-PHENYLIMIDAZOLE
• Benzene, 1-methyl-2-nitro- + 4,5-DIPHENYLIMIDAZOLE
• Benzene, 1-methyl-2-nitro- + Water
• Benzene, 1-methyl-2-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.
• 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
• New method for determination of vaporization and sublimation enthalpy of aromatic compounds at 298.15 K using solution calorimetry technique and group-additivity scheme
• Solubility of Imidazoles, Benzimidazoles, and Phenylimidazoles in Dichloromethane, 1-Chlorobutane, Toluene, and 2-Nitrotoluene
• Excess Volumes, Speeds of Sound, Isentropic Compressibilities, and Viscosities of Binary Mixtures of Acetophenone with Chlorotoluenes and Nitrotoluenes at 303.15 K
• Mutual Solubilities for Water-o-Nitrotoluene System and Distribution Coefficients for Furfural and Acetic Acid in Water-o-Nitrotoluene System
• 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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