Chemical Properties of Phenol, 4-chloro- (CAS 106-48-9)

Phenol, 4-chloro-

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InChI
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChI Key
WXNZTHHGJRFXKQ-UHFFFAOYSA-N
Formula
C6H5ClO
SMILES
Oc1ccc(Cl)cc1
Molecular Weight1
128.56
CAS
106-48-9
Other Names
  • 4-Chlorophenol
  • 4-Hydroxychlorobenzene
  • Applied 3-78
  • NSC 2877
  • Parachlorophenol
  • Phenol, p-chloro-
  • p-Chlorfenol
  • p-Chlorophenic acid
  • p-Chlorophenol
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Physical Properties

Property Value Unit Source
Δcliquid -2917.90 ± 8.40 kJ/mol NIST
Δcsolid -2901.60 ± 8.40 kJ/mol NIST
Δf -54.50 kJ/mol Joback Calculated Property
Δfgas -123.69 kJ/mol Joback Calculated Property
Δfus 15.32 kJ/mol Joback Calculated Property
Δsub 77.10 ± 0.20 kJ/mol NIST
Δvap 64.40 ± 0.30 kJ/mol NIST
IE [8.69; 9.07] eV Show Hide
IE 9.07 eV NIST
IE 8.69 eV NIST
log10WS [-0.70; -0.70]   Show Hide
log10WS -0.70 Aq. Sol...
log10WS -0.70 Estimat...
logPoct/wat 2.046 Crippen Calculated Property
McVol 89.750 ml/mol McGowan Calculated Property
Pc 5478.85 kPa Joback Calculated Property
Inp [1145.00; 1207.00]   Show Hide
Inp 1170.93 NIST
Inp 1157.00 NIST
Inp 1167.00 NIST
Inp 1158.00 NIST
Inp 1157.00 NIST
Inp 1161.00 NIST
Inp 1204.00 NIST
Inp 1192.00 NIST
Inp 1169.00 NIST
Inp 1165.00 NIST
Inp 1167.00 NIST
Inp 1205.30 NIST
Inp 1198.00 NIST
Inp 1145.00 NIST
Inp 1161.00 NIST
Inp 1166.00 NIST
Inp 1167.00 NIST
Inp 1168.00 NIST
Inp 1207.00 NIST
Inp 1164.00 NIST
Inp 1165.00 NIST
Inp 1167.00 NIST
Inp 1158.00 NIST
Inp 1203.00 NIST
Inp 1203.00 NIST
Inp 1192.00 NIST
Inp 1171.00 NIST
Inp 1192.00 NIST
I [2335.00; 2380.00]   Show Hide
I 2371.00 NIST
I 2371.00 NIST
I 2371.00 NIST
I 2380.00 NIST
I 2364.00 NIST
I 2335.00 NIST
I 2352.00 NIST
I 2342.00 NIST
I 2376.00 NIST
I 2342.00 NIST
Tboil [492.90; 492.90] K Show Hide
Tboil 492.90 K NIST
Tboil 492.90 ± 0.40 K NIST
Tc 721.38 K Joback Calculated Property
Tfus [315.60; 316.90] K Show Hide
Tfus 316.10 K Aq. Sol...
Tfus 315.60 K Solid l...
Tfus 316.15 K Liquid ...
Tfus 316.90 K Crystal...
Tfus 316.00 ± 0.20 K NIST
Vc 0.279 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [167.36; 208.73] J/mol×K [481.41; 721.38] Show Hide
Cp,gas 167.36 J/mol×K 481.41 Joback Calculated Property
Cp,gas 176.00 J/mol×K 521.40 Joback Calculated Property
Cp,gas 183.82 J/mol×K 561.40 Joback Calculated Property
Cp,gas 190.92 J/mol×K 601.39 Joback Calculated Property
Cp,gas 197.38 J/mol×K 641.39 Joback Calculated Property
Cp,gas 203.28 J/mol×K 681.38 Joback Calculated Property
Cp,gas 208.73 J/mol×K 721.38 Joback Calculated Property
η [0.0001241; 0.0044385] Pa×s [325.44; 481.41] Show Hide
η 0.0044385 Pa×s 325.44 Joback Calculated Property
η 0.0019615 Pa×s 351.44 Joback Calculated Property
η 0.0009700 Pa×s 377.43 Joback Calculated Property
η 0.0005253 Pa×s 403.42 Joback Calculated Property
η 0.0003064 Pa×s 429.42 Joback Calculated Property
η 0.0001900 Pa×s 455.41 Joback Calculated Property
η 0.0001241 Pa×s 481.41 Joback Calculated Property
ΔfusH [14.07; 14.07] kJ/mol [315.90; 316.00] Show Hide
ΔfusH 14.07 kJ/mol 315.90 NIST
ΔfusH 14.07 kJ/mol 315.90 NIST
ΔfusH 14.07 kJ/mol 316.00 NIST
ΔsubH [54.00; 60.80] kJ/mol [272.50; 297.00] Show Hide
ΔsubH 60.80 kJ/mol 272.50 NIST
ΔsubH 54.00 ± 1.00 kJ/mol 297.00 NIST
ΔvapH [52.80; 61.90] kJ/mol [334.50; 433.00] Show Hide
ΔvapH 61.90 kJ/mol 334.50 NIST
ΔvapH 52.80 kJ/mol 408.00 NIST
ΔvapH 60.60 kJ/mol 433.00 NIST
Psub [1.32e-03; 0.03] kPa [283.20; 313.20] Show Hide
Psub 1.32e-03 kPa 283.20 Thermoc...
Psub 2.36e-03 kPa 288.20 Thermoc...
Psub 3.32e-03 kPa 291.20 Thermoc...
Psub 4.59e-03 kPa 294.20 Thermoc...
Psub 6.22e-03 kPa 297.20 Thermoc...
Psub 8.39e-03 kPa 300.20 Thermoc...
Psub 0.01 kPa 303.20 Thermoc...
Psub 0.02 kPa 306.20 Thermoc...
Psub 0.02 kPa 309.20 Thermoc...
Psub 0.03 kPa 311.20 Thermoc...
Psub 0.03 kPa 313.20 Thermoc...
ΔfusS 44.51 J/mol×K 316.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.69] kPa [365.38; 453.28] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A2.47397e+01
Coefficient B-8.31169e+03
Coefficient C-2.54600e+01
Temperature range, min.365.38
Temperature range, max.453.28
Pvap 1.33 kPa 365.38 Calculated Property
Pvap 2.64 kPa 375.15 Calculated Property
Pvap 5.04 kPa 384.91 Calculated Property
Pvap 9.28 kPa 394.68 Calculated Property
Pvap 16.58 kPa 404.45 Calculated Property
Pvap 28.77 kPa 414.21 Calculated Property
Pvap 48.58 kPa 423.98 Calculated Property
Pvap 80.02 kPa 433.75 Calculated Property
Pvap 128.74 kPa 443.51 Calculated Property
Pvap 202.69 kPa 453.28 Calculated Property

Similar Compounds

Phenol, 2,4-dichloro-. Phenol, 3,4-dichloro-. Phenol, 3-chloro-. 1,3-Benzenediol, 4-chloro-. Phenol, 2-chloro-. 1,2-Benzenediol, 4-chloro-. 1,4-Benzenediol, 2-chloro-. Phenol, 2,5-dichloro-. Benzene, 1,1'-oxybis[4-chloro-. Phenol-d6-. Phenol. Hydroquinone. Phenol, 2-bromo-4-chloro-. Benzene, 1-chloro-4-phenoxy-. Benzene, 1-chloro-4-methoxy-.

Find more compounds similar to Phenol, 4-chloro-.

Mixtures

Sources

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