Chemical Properties of Resorcinol (CAS 108-46-3)

Resorcinol

InChI
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChI Key
GHMLBKRAJCXXBS-UHFFFAOYSA-N
Formula
C6H6O2
SMILES
Oc1cccc(O)c1
Molecular Weight1
110.11
CAS
108-46-3
Other Names
  • 1,3-Dihydroxybenzene (resorcinol)
  • 1,3-benzenediol
  • 1,3-dihydroxybenzene
  • 3-hydroxyphenol
  • Benzene, 1,3-dihydroxy-
  • Benzene, m-dihydroxy-
  • C.I. 76505
  • C.I. Developer 4
  • C.I. Oxidation Base 31
  • Developer O
  • Developer R
  • Developer RS
  • Durafur Developer G
  • Fouramine RS
  • Fourrine 79
  • Fourrine EW
  • NCI-C05970
  • NSC 1571
  • Nako TGG
  • Pelagol Grey RS
  • Pelagol RS
  • Phenol, m-hydroxy-
  • Rcra waste number U201
  • Resorcin
  • Resorcine
  • Rodol RS
  • UN 2876
  • m-Dioxybenzene
  • m-Hydroquinone
  • m-Hydroxyphenol
  • m-benzenediol
  • m-dihydroxybenzene
  • «alpha»-Resorcinol
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Physical Properties

Property Value Unit Source
ω 0.6413 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
PAff 856.40 kJ/mol NIST
ΔcH°solid [-2867.00; -2847.90] kJ/mol Show Hide
ΔcH°solid -2847.90 ± 1.10 kJ/mol NIST
ΔcH°solid -2850.60 ± 0.42 kJ/mol NIST
ΔcH°solid -2867.00 kJ/mol NIST
ΔcH°solid -2861.00 kJ/mol NIST
SProt -15.00 J/mol×K NIST
ΔfG° -187.56 kJ/mol Joback Calculated Property
ΔfH°gas [-284.70; -265.20] kJ/mol Show Hide
ΔfH°gas -284.70 ± 1.20 kJ/mol NIST
ΔfH°gas -275.00 kJ/mol NIST
ΔfH°gas -265.20 kJ/mol NIST
ΔfH°solid [-370.70; -351.20] kJ/mol Show Hide
ΔfH°solid -370.70 ± 1.10 kJ/mol NIST
ΔfH°solid -368.00 ± 0.50 kJ/mol NIST
ΔfH°solid -351.20 kJ/mol NIST
ΔfusH° 17.29 kJ/mol Joback Calculated Property
ΔsubH° [86.00; 93.00] kJ/mol Show Hide
ΔsubH° 86.00 ± 0.52 kJ/mol NIST
ΔsubH° 86.00 kJ/mol NIST
ΔsubH° 87.50 ± 0.50 kJ/mol NIST
ΔsubH° Outlier 93.00 kJ/mol NIST
ΔsubH° 86.00 ± 0.52 kJ/mol NIST
ΔsubH° 86.00 kJ/mol NIST
ΔsubH° 87.50 ± 0.50 kJ/mol NIST
ΔvapH° 78.40 ± 1.30 kJ/mol NIST
IE [8.20; 8.63] eV Show Hide
IE 8.20 eV NIST
IE 8.63 eV NIST
log10WS [0.81; 0.81]   Show Hide
log10WS 0.81 Aq. Solubility Prediction
log10WS 0.81 Estimated Solubility
logPoct/wat 1.098 Crippen Calculated Property
McVol 83.380 ml/mol McGowan Calculated Property
NFPA Fire 1 KDB
Pc [6240.00; 6750.27] kPa Show Hide
Pc 6240.00 kPa Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pc 6750.27 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp [213.50; 1379.00]   Show Hide
Inp 1379.00 NIST
Inp 1376.00 NIST
Inp 1368.00 NIST
Inp 1368.00 NIST
Inp 213.50 NIST
Inp 216.79 NIST
Inp 219.64 NIST
Inp 213.50 NIST
Inp 1368.00 NIST
Inp 1376.00 NIST
Tboil [549.05; 554.55] K Show Hide
Tboil 549.05 K KDB
Tboil 550.00 K NIST
Tboil 549.10 ± 0.40 K NIST
Tboil 554.55 ± 0.50 K NIST
Tc 810.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus [381.00; 390.00] K Show Hide
Tfus 383.15 K Liquid pharmaceuticals formulation by eutectic formation
Tfus 382.00 K Enthalpies of formation of dihydroxybenzenes revisited: Combining experimental and high-level ab initio data
Tfus 382.20 K The fusion thermochemistry of self-associated aromatic compounds at 298.15 K studied by solution calorimetry
Tfus 383.65 K Thermal, physicochemical and microstructural studies of organic analog of nonmetal-nonmetal monotectic alloy
Tfus 384.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 382.85 K KDB
Tfus 383.90 K Aq. Solubility Prediction
Tfus 382.60 ± 0.50 K NIST
Tfus 384.00 K NIST
Tfus 381.00 ± 1.00 K NIST
Tfus 382.00 ± 1.00 K NIST
Tfus 383.50 ± 0.30 K NIST
Tfus Outlier 390.00 ± 1.50 K NIST
Tfus 381.95 ± 0.50 K NIST
Ttriple [382.70; 383.54] K Show Hide
Ttriple 383.54 ± 0.02 K NIST
Ttriple 382.70 ± 0.20 K NIST
Ttriple 382.80 ± 0.25 K NIST
Ttriple 383.54 ± 0.02 K NIST
Ttriple 382.80 ± 0.25 K NIST
Vc 0.292 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid [131.00; 151.00] J/mol×K [297.90; 323.00] Show Hide
Cp,solid 131.40 J/mol×K 297.90 NIST
Cp,solid 131.00 J/mol×K 298.00 NIST
Cp,solid 135.53 J/mol×K 298.15 NIST
Cp,solid 139.30 J/mol×K 298.15 NIST
Cp,solid 151.00 J/mol×K 323.00 NIST
ΔfusH [1.20; 21.30] kJ/mol [366.80; 382.90] Show Hide
ΔfusH 1.20 kJ/mol 366.80 NIST
ΔfusH 20.50 kJ/mol 381.00 NIST
ΔfusH 18.90 kJ/mol 382.60 NIST
ΔfusH 18.90 kJ/mol 382.60 NIST
ΔfusH 21.30 kJ/mol 382.80 NIST
ΔfusH 21.30 kJ/mol 382.80 NIST
ΔfusH 21.30 kJ/mol 382.90 NIST
ΔfusH 21.30 kJ/mol 382.90 NIST
ΔsubH [85.30; 95.00] kJ/mol [303.00; 353.50] Show Hide
ΔsubH 93.40 kJ/mol 303.00 NIST
ΔsubH 95.00 ± 1.00 kJ/mol 329.00 NIST
ΔsubH 93.00 ± 21.00 kJ/mol 329.50 NIST
ΔsubH 85.30 ± 0.50 kJ/mol 334.00 NIST
ΔsubH 85.30 ± 0.50 kJ/mol 334.00 NIST
ΔsubH 92.30 kJ/mol 353.50 NIST
ΔvapH [74.30; 74.30] kJ/mol [427.50; 484.50] Show Hide
ΔvapH 74.30 kJ/mol 427.50 NIST
ΔvapH 74.30 kJ/mol 484.50 NIST
Psub [4.00e-04; 0.02] kPa [323.10; 364.30] Show Hide
Psub 4.00e-04 kPa 323.10 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 5.48e-04 kPa 326.10 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 6.17e-04 kPa 326.70 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 7.74e-04 kPa 329.10 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 8.81e-04 kPa 330.10 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 9.66e-04 kPa 331.20 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 1.06e-03 kPa 332.10 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 1.24e-03 kPa 333.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 1.34e-03 kPa 334.20 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 1.47e-03 kPa 335.20 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 1.86e-03 kPa 337.10 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 2.23e-03 kPa 339.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 2.54e-03 kPa 340.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 2.72e-03 kPa 341.20 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 2.71e-03 kPa 341.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 3.40e-03 kPa 343.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 3.41e-03 kPa 343.50 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 3.54e-03 kPa 344.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 3.67e-03 kPa 344.40 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 4.58e-03 kPa 346.20 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 4.68e-03 kPa 346.40 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 5.53e-03 kPa 348.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 5.56e-03 kPa 348.40 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 5.69e-03 kPa 349.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 6.49e-03 kPa 350.20 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 6.43e-03 kPa 350.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 7.32e-03 kPa 351.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 7.73e-03 kPa 352.20 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 8.71e-03 kPa 353.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 9.84e-03 kPa 354.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 0.01 kPa 355.20 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 0.01 kPa 356.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 0.01 kPa 357.40 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 0.01 kPa 358.20 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 0.01 kPa 358.60 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 0.02 kPa 360.20 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 0.02 kPa 360.40 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 0.02 kPa 361.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub 0.02 kPa 364.30 Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
ΔfusS [3.27; 55.60] J/mol×K [366.80; 382.80] Show Hide
ΔfusS 3.27 J/mol×K 366.80 NIST
ΔfusS 53.80 J/mol×K 381.00 NIST
ΔfusS 49.41 J/mol×K 382.60 NIST
ΔfusS 55.60 J/mol×K 382.80 NIST
ΔfusS 55.60 J/mol×K 382.80 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboil(P) [444.70; 456.80] K [2.95; 4.93] Show Hide
Tboil(P) 444.70 K 2.95 Vapour pressure data for 2-n-propylresorcinol, 4-ethylresorcinol and 4-hexylresorcinol near their normal boiling points measured by differential scanning calorimetry
Tboil(P) 451.30 K 3.93 Vapour pressure data for 2-n-propylresorcinol, 4-ethylresorcinol and 4-hexylresorcinol near their normal boiling points measured by differential scanning calorimetry
Tboil(P) 456.80 K 4.93 Vapour pressure data for 2-n-propylresorcinol, 4-ethylresorcinol and 4-hexylresorcinol near their normal boiling points measured by differential scanning calorimetry
Tboilr 451.20 K 2.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [106.73; 258.23] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-6.86100e+01
Coefficient B8.63600e-01
Coefficient C-9.13560e-04
Coefficient D3.76800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 106.73 J/mol×K 273.00 Calculated Property
Cp,gas 139.26 J/mol×K 353.78 Calculated Property
Cp,gas 165.08 J/mol×K 434.56 Calculated Property
Cp,gas 185.39 J/mol×K 515.33 Calculated Property
Cp,gas 201.38 J/mol×K 596.11 Calculated Property
Cp,gas 214.24 J/mol×K 676.89 Calculated Property
Cp,gas 225.16 J/mol×K 757.67 Calculated Property
Cp,gas 235.34 J/mol×K 838.44 Calculated Property
Cp,gas 245.97 J/mol×K 919.22 Calculated Property
Cp,gas 258.23 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0015372; 0.0000096] Pa×s [382.84; 567.00] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-2.21125e+01
Coefficient B5.98564e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.382.84
Temperature range, max.567.00
η 0.0015372 Pa×s 382.84 Calculated Property
η 0.0006954 Pa×s 403.30 Calculated Property
η 0.0003396 Pa×s 423.77 Calculated Property
η 0.0001772 Pa×s 444.23 Calculated Property
η 0.0000979 Pa×s 464.69 Calculated Property
η 0.0000569 Pa×s 485.15 Calculated Property
η 0.0000345 Pa×s 505.61 Calculated Property
η 0.0000218 Pa×s 526.08 Calculated Property
η 0.0000142 Pa×s 546.54 Calculated Property
η 0.0000096 Pa×s 567.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [0.09; 7618.13] kPa [382.00; 810.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A1.64521e+02
Coefficient B-1.68432e+04
Coefficient C-2.08308e+01
Coefficient D7.18739e-06
Coefficient E0.00000e+00
Temperature range, min.382.00
Temperature range, max.810.00
Pvap 0.09 kPa 382.00 Calculated Property
Pvap 1.41 kPa 429.56 Calculated Property
Pvap 10.76 kPa 477.11 Calculated Property
Pvap 51.35 kPa 524.67 Calculated Property
Pvap 176.66 kPa 572.22 Calculated Property
Pvap 481.64 kPa 619.78 Calculated Property
Pvap 1111.85 kPa 667.33 Calculated Property
Pvap 2278.49 kPa 714.89 Calculated Property
Pvap 4290.69 kPa 762.44 Calculated Property
Pvap 7618.13 kPa 810.00 Calculated Property
Pvap [1.29; 102.51] kPa [424.70; 549.70] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.73212e+01
Coefficient B-6.18740e+03
Coefficient C-6.21640e+01
Referencevon Terres, Gebert, et al., 1955
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.424.70
Temperature range, max.549.70
Pvap 1.29 kPa 424.70 Calculated Property
Pvap 2.42 kPa 438.59 Calculated Property
Pvap 4.34 kPa 452.48 Calculated Property
Pvap 7.49 kPa 466.37 Calculated Property
Pvap 12.45 kPa 480.26 Calculated Property
Pvap 20.04 kPa 494.14 Calculated Property
Pvap 31.31 kPa 508.03 Calculated Property
Pvap 47.62 kPa 521.92 Calculated Property
Pvap 70.66 kPa 535.81 Calculated Property
Pvap 102.51 kPa 549.70 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.05; 0.04] N/m [383.15; 549.15] Jasper (1972), surface tension of pure liquid compounds Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is γ in N/m, T in K
Coefficient A7.43849e-02
Coefficient B-7.17000e-05
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.383.15
Temperature range, max.549.15
γ 0.05 N/m 383.15 Calculated Property
γ 0.05 N/m 401.59 Calculated Property
γ 0.04 N/m 420.04 Calculated Property
γ 0.04 N/m 438.48 Calculated Property
γ 0.04 N/m 456.93 Calculated Property
γ 0.04 N/m 475.37 Calculated Property
γ 0.04 N/m 493.82 Calculated Property
γ 0.04 N/m 512.26 Calculated Property
γ 0.04 N/m 530.71 Calculated Property
γ 0.04 N/m 549.15 Calculated Property

Similar Compounds

Phenol-d6-. Phenol. 1,2,4-Benzenetriol. 1,2,3-Benzenetriol. 1,2-Benzenediol. 1,3,5-Benzenetriol. Hydroquinone. Phenol, 3-phenoxy-. m-Guaiacol. Phenol, m-(m-phenoxyphenoxy)-. 1,3-Naphthalenediol. phenoxide anion. 1,3-Benzenediol, 4-chloro-. 2,7-Naphthalenediol. 1,3-Benzenediol, 4-bromo-.

Find more compounds similar to Resorcinol.

Mixtures

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