Chemical Properties of Benzene, 2,4-dimethyl-1-nitro- (CAS 89-87-2)

InChI

InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3

InChI Key

BBUPBICWUURTNP-UHFFFAOYSA-N

Formula

C8H9NO2

SMILES

Cc1ccc([N+](=O)[O-])c(C)c1

Molecular Weight¹

151.16

CAS

89-87-2

Other Names

• 1,3-Dimethyl-4-nitrobenzene
• 1-Nitro-2,4-dimethylbenzene
• 2,4-Dimethyl-1-nitrobenzene
• 2,4-Dimethylnitrobenzene
• 4-Nitro-1,3-dimethylbenzene
• 4-Nitro-1,3-xylene
• 4-Nitro-m-xylene
• NSC 50661
• benzene, 1,3-dimethyl-4-nitro-
• m-Xylene, 4-nitro-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (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
PAff	831.00	kJ/mol	NIST
BasG	798.50	kJ/mol	NIST
EA	0.88 ± 0.05	eV	NIST
ΔfG°	145.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-5.62	kJ/mol	Joback Calculated Property
ΔfusH°	21.10	kJ/mol	Joback Calculated Property
ΔvapH°	53.59	kJ/mol	Joback Calculated Property
IE	[9.10; 9.38]	eV
IE	9.10	eV	NIST
IE	9.36	eV	NIST
IE	9.38 ± 0.01	eV	NIST
log10WS	-3.07		Crippen Calculated Property
logPoct/wat	2.212		Crippen Calculated Property
McVol	117.240	ml/mol	McGowan Calculated Property
Pc	3572.80	kPa	Joback Calculated Property
Tboil	517.20	K	NIST
Tc	816.66	K	Joback Calculated Property
Tfus	[282.68; 282.76]	K
Tfus	282.68 ± 0.30	K	NIST
Tfus	282.76 ± 0.20	K	NIST
Vc	0.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[264.31; 324.37]	J/mol×K	[570.92; 816.66]
Cp,gas	264.31	J/mol×K	570.92	Joback Calculated Property
Cp,gas	276.23	J/mol×K	611.88	Joback Calculated Property
Cp,gas	287.35	J/mol×K	652.83	Joback Calculated Property
Cp,gas	297.69	J/mol×K	693.79	Joback Calculated Property
Cp,gas	307.28	J/mol×K	734.75	Joback Calculated Property
Cp,gas	316.17	J/mol×K	775.71	Joback Calculated Property
Cp,gas	324.37	J/mol×K	816.66	Joback Calculated Property
ΔvapH	[56.70; 57.30]	kJ/mol	[427.50; 443.00]
ΔvapH	57.30	kJ/mol	427.50	NIST
ΔvapH	56.70	kJ/mol	443.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[392.12; 547.36]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52259e+01
Coefficient B			-4.57663e+03
Coefficient C			-8.57520e+01
Temperature range, min.			392.12
Temperature range, max.			547.36
Pvap	1.33	kPa	392.12	Calculated Property
Pvap	2.96	kPa	409.37	Calculated Property
Pvap	6.05	kPa	426.62	Calculated Property
Pvap	11.54	kPa	443.87	Calculated Property
Pvap	20.77	kPa	461.12	Calculated Property
Pvap	35.48	kPa	478.36	Calculated Property
Pvap	57.95	kPa	495.61	Calculated Property
Pvap	90.98	kPa	512.86	Calculated Property
Pvap	137.90	kPa	530.11	Calculated Property
Pvap	202.63	kPa	547.36	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 2,4-dimethyl-1-nitro-.

Mixtures

• Furfural + Benzene, 2,4-dimethyl-1-nitro- + Water
• Benzene, 2,4-dimethyl-1-nitro- + Formic acid + Water
• Benzene, 2,4-dimethyl-1-nitro- + Water
• Pentanoic acid, 4-oxo- + Benzene, 2,4-dimethyl-1-nitro- + Water

Sources

• Crippen Method
• Crippen Method
• Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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