Chemical Properties of Benzene, 1,2-dimethyl-3-nitro- (CAS 83-41-0)

InChI

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

InChI Key

FVHAWXWFPBPFOS-UHFFFAOYSA-N

Formula

C8H9NO2

SMILES

Cc1cccc([N+](=O)[O-])c1C

Molecular Weight¹

151.16

CAS

83-41-0

Other Names

• 1,2-Dimethyl-3-nitrobenzene
• 2,3-Dimethylnitrobenzene
• 3-Nitro-o-xylene
• o-Xylene, 3-nitro-

• 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).
• 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
EA	[0.85; 0.92]	eV
EA	0.85 ± 0.10	eV	NIST
EA	0.92 ± 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
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	518.20	K	NIST
Tc	816.66	K	Joback Calculated Property
Tfus	287.40 ± 1.00	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	59.40	kJ/mol	450.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[386.52; 550.71]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45741e+01
Coefficient B			-4.32473e+03
Coefficient C			-8.38060e+01
Temperature range, min.			386.52
Temperature range, max.			550.71
Pvap	1.33	kPa	386.52	Calculated Property
Pvap	3.00	kPa	404.76	Calculated Property
Pvap	6.20	kPa	423.01	Calculated Property
Pvap	11.88	kPa	441.25	Calculated Property
Pvap	21.38	kPa	459.49	Calculated Property
Pvap	36.44	kPa	477.74	Calculated Property
Pvap	59.24	kPa	495.98	Calculated Property
Pvap	92.42	kPa	514.22	Calculated Property
Pvap	139.06	kPa	532.47	Calculated Property
Pvap	202.66	kPa	550.71	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2-dimethyl-3-nitro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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