Chemical Properties of Benzene, 1-chloro-2-nitro- (CAS 88-73-3)

Benzene, 1-chloro-2-nitro-

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InChI
InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChI Key
BFCFYVKQTRLZHA-UHFFFAOYSA-N
Formula
C6H4ClNO2
SMILES
O=[N+]([O-])c1ccccc1Cl
Molecular Weight1
157.55
CAS
88-73-3
Other Names
  • 1-Chloro-2-Nitrobenzene
  • 1-Nitro-2-chlorobenzene
  • 2-Chloro-1-nitrobenzene
  • 2-Chloronitrobenzene
  • 2-Nitro-1-chlorobenzene
  • 2-Nitrochlorobenzene
  • Chloro-o-nitrobenzene
  • NSC 36934
  • Nitrochlorobenzene, o-
  • Nitrochlorobenzene, ortho
  • O-NITROPHENYL CHLORIDE
  • ONCB
  • o-Chloronitrobenzene
  • o-Nitrochlorobenzene
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Physical Properties

Property Value Unit Source
Δcsolid -2923.30 ± 2.50 kJ/mol NIST
EA [1.11; 1.34] eV Show
EA 1.16 ± 0.10 eV NIST
EA 1.11 ± 0.05 eV NIST
EA 1.34 ± 0.05 eV NIST
Δf 126.04 kJ/mol Joback Calculated Property
Δfgas 31.39 kJ/mol Joback Calculated Property
Δfsolid -32.90 kJ/mol NIST
Δfus 18.11 kJ/mol Heat Ca...
Δsub [80.80; 80.90] kJ/mol Show
Δsub 80.90 ± 1.50 kJ/mol NIST
Δsub 80.80 ± 0.30 kJ/mol NIST
Δvap 60.40 ± 0.30 kJ/mol NIST
log10WS [-2.55; -2.55]   Show
log10WS -2.55 Aq. Sol...
log10WS -2.55 Estimat...
logPoct/wat 2.248 Crippen Calculated Property
McVol 101.300 ml/mol McGowan Calculated Property
NFPA Fire 1 KDB
NFPA Health 3 KDB
NFPA Safety 1 KDB
Pc 4426.72 kPa Joback Calculated Property
Inp [213.00; 1241.00]   Show
Inp 1241.00 NIST
Inp 1195.00 NIST
Inp 1193.00 NIST
Inp 1199.00 NIST
Inp 213.00 NIST
I [1946.00; 1964.00]   Show
I 1946.00 NIST
I 1964.00 NIST
I 1946.00 NIST
Tboil [519.15; 519.20] K Show
Tboil 519.20 K NIST
Tboil 519.15 ± 0.60 K NIST
Tc 817.38 K Joback Calculated Property
Tfus [305.15; 306.03] K Show
Tfus 306.03 K Aq. Sol...
Tfus 305.28 ± 0.07 K NIST
Tfus 305.28 ± 0.05 K NIST
Tfus 306.00 ± 1.50 K NIST
Tfus 305.15 ± 0.15 K NIST
Tfus 305.70 ± 1.50 K NIST
Vc 0.395 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [200.06; 243.57] J/mol×K [557.61; 817.38] Show
T(K)
Ideal gas heat capacity (J/mol×K)
200
210
220
230
240
600
700
800
Cp,gas 200.06 J/mol×K 557.61 Joback Calculated Property
Cp,gas 209.08 J/mol×K 600.91 Joback Calculated Property
Cp,gas 217.33 J/mol×K 644.20 Joback Calculated Property
Cp,gas 224.86 J/mol×K 687.50 Joback Calculated Property
Cp,gas 231.72 J/mol×K 730.79 Joback Calculated Property
Cp,gas 237.94 J/mol×K 774.09 Joback Calculated Property
Cp,gas 243.57 J/mol×K 817.38 Joback Calculated Property
ΔfusH [18.11; 19.08] kJ/mol [305.80; 308.20] Show
ΔfusH 18.11 kJ/mol 305.80 NIST
ΔfusH 18.21 kJ/mol 305.80 NIST
ΔfusH 19.08 kJ/mol 308.20 NIST
ΔvapH 52.10 kJ/mol 468.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 392.20 K 1.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [389.94; 550.26] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50943e+01
Coefficient B-4.62238e+03
Coefficient C-7.77630e+01
Temperature range, min.389.94
Temperature range, max.550.26
T(K)
Vapor pressure (kPa)
0
50
100
150
200
400
450
500
550
Pvap 1.33 kPa 389.94 Calculated Property
Pvap 2.96 kPa 407.75 Calculated Property
Pvap 6.07 kPa 425.57 Calculated Property
Pvap 11.61 kPa 443.38 Calculated Property
Pvap 20.88 kPa 461.19 Calculated Property
Pvap 35.66 kPa 479.01 Calculated Property
Pvap 58.20 kPa 496.82 Calculated Property
Pvap 91.25 kPa 514.63 Calculated Property
Pvap 138.12 kPa 532.45 Calculated Property
Pvap 202.64 kPa 550.26 Calculated Property
Pvap [5.53e-03; 3908.14] kPa [306.15; 757.00] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.11244e+02
Coefficient B-1.20614e+04
Coefficient C-1.35369e+01
Coefficient D4.71347e-06
Temperature range, min.306.15
Temperature range, max.757.00
T(K)
Vapor pressure (kPa)
0
500
1000
1500
2000
2500
3000
3500
4000
400
600
Pvap 5.53e-03 kPa 306.15 Calculated Property
Pvap 0.21 kPa 356.24 Calculated Property
Pvap 2.77 kPa 406.34 Calculated Property
Pvap 18.32 kPa 456.43 Calculated Property
Pvap 76.65 kPa 506.53 Calculated Property
Pvap 234.31 kPa 556.62 Calculated Property
Pvap 574.75 kPa 606.72 Calculated Property
Pvap 1205.37 kPa 656.81 Calculated Property
Pvap 2259.48 kPa 706.91 Calculated Property
Pvap 3908.14 kPa 757.00 Calculated Property

Similar Compounds

Benzene, 2,4-dichloro-1-nitro-. Benzene, 1,4-dichloro-2-nitro-. Benzene, 1,2-dichloro-3-nitro-. Benzene, 1-chloro-3-nitro-. 1-Chloro-2,6-dinitrobenzene. Benzene, 1-chloro-2,4-dinitro-. Benzenamine, 3-chloro-4-nitro-. 1,2,3-Trichloro-4-nitrobenzene. Benzene, 1,2-dichloro-4-nitro-. 4-Chloro-3-nitrophenyl isothiocyanate. 4-Chloro-3-nitrophenyl isocyanate. 4-chloro-3-nitroaniline. Benzenamine, 4-chloro-3-nitro-. Benzene, 1-chloro-4-nitro-. 1,3-Dichloro-4,6-dinitrobenzene.

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

Sources

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