Chemical Properties of Phenol, 2-methyl- (CAS 95-48-7)

Phenol, 2-methyl-

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InChI
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChI Key
QWVGKYWNOKOFNN-UHFFFAOYSA-N
Formula
C7H8O
SMILES
Cc1ccccc1O
Molecular Weight1
108.14
CAS
95-48-7
Other Names
  • 1-Hydroxy-2-methylbenzene
  • 1-Methyl-2-hydroxybenzene
  • 2-Cresol
  • 2-Hydroxytoluene
  • 2-Methylphenol
  • NSC 23076
  • Orthocresol
  • Rcra waste number U052
  • o-Cresol
  • o-Cresylic acid
  • o-Hydroxytoluene
  • o-Kresol
  • o-Methylphenol
  • o-Methylphenylol
  • o-Oxytoluene
  • o-Toluol
Sources

Physical Properties

Property Value Unit Source
PAff 832.00 ± 8.00 kJ/mol NIST
BasG 800.00 ± 8.00 kJ/mol NIST
Δcliquid -3696.00 kJ/mol NIST
Δcsolid -3693.60 ± 0.42 kJ/mol NIST
Δcsolid -3693.30 ± 1.00 kJ/mol NIST
Δcsolid -3697.00 kJ/mol NIST
Δf -34.15 kJ/mol Joback Calculated Property
Δfgas -128.30 ± 0.88 kJ/mol NIST
Δfgas -128.60 ± 0.92 kJ/mol NIST
Δfliquid -202.00 kJ/mol NIST
Δfsolid -204.30 kJ/mol NIST
Δfsolid -204.60 ± 0.92 kJ/mol NIST
Δfus 13.71 kJ/mol Joback Calculated Property
Δsub [73.70; 76.02] kJ/mol Show Hide
Δsub 73.70 ± 0.50 kJ/mol NIST
Δsub 76.00 kJ/mol NIST
Δsub 76.02 ± 0.75 kJ/mol NIST
Δsub 76.00 kJ/mol NIST
Δvap 44.89 kJ/mol NIST
IE [8.14; 8.93] eV Show Hide
IE 8.14 eV NIST
IE 8.24 ± 0.02 eV NIST
IE 8.93 eV NIST
IE 8.46 ± 0.06 eV NIST
IE 8.50 eV NIST
IE 8.48 eV NIST
logPoct/wat 1.701 Crippen Calculated Property
Pc 4170.00 ± 39.22 kPa NIST
Pc 4863.60 ± 303.98 kPa NIST
Pc 5005.46 ± 70.92 kPa NIST
solid,1 bar 165.44 J/mol×K NIST
Tboil [460.90; 464.95] K Show Hide
Tboil 464.20 K NIST
Tboil 463.75 ± 2.00 K NIST
Tboil 464.10 ± 0.30 K NIST
Tboil 464.25 ± 1.00 K NIST
Tboil 464.30 ± 0.60 K NIST
Tboil 463.95 ± 1.00 K NIST
Tboil 464.25 ± 0.30 K NIST
Tboil 464.25 ± 0.35 K NIST
Tboil Outlier 460.90 ± 0.70 K NIST
Tboil 464.95 ± 1.50 K NIST
Tboil 464.65 ± 1.50 K NIST
Tboil 464.15 ± 0.50 K NIST
Tc [695.15; 697.60] K Show Hide
Tc 697.60 ± 0.40 K NIST
Tc 697.55 ± 0.23 K NIST
Tc 695.15 ± 2.00 K NIST
Tc 695.50 ± 3.00 K NIST
Tfus [302.55; 304.14] K Show Hide
Tfus 304.00 ± 0.30 K NIST
Tfus 304.14 ± 0.05 K NIST
Tfus 304.05 ± 0.30 K NIST
Tfus 304.09 ± 0.05 K NIST
Tfus 304.09 ± 0.10 K NIST
Tfus 303.55 ± 0.25 K NIST
Tfus 303.50 ± 0.20 K NIST
Tfus 303.55 ± 0.50 K NIST
Tfus 303.70 ± 0.50 K NIST
Tfus 302.65 ± 0.40 K NIST
Tfus 303.45 ± 0.40 K NIST
Tfus 303.75 ± 0.20 K NIST
Tfus 303.60 ± 0.30 K NIST
Tfus Outlier 302.55 ± 0.50 K NIST
Tfus 302.90 ± 0.15 K NIST
Ttriple 304.20 ± 0.02 K NIST
Vc 0.285 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 184.27 J/mol×K 466.86 Joback Calculated Property
Cp,liquid 225.90 J/mol×K 283.0 NIST
Cp,liquid 233.60 J/mol×K 313.0 NIST
Cp,solid 154.56 J/mol×K 298.15 NIST
η 0.0001227 Pa×s 466.86 Joback Calculated Property
ΔfusH [13.94; 15.90] kJ/mol [303.00; 305.40] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 13.94 kJ/mol 303.0 NIST
ΔfusH 14.80 kJ/mol 304.05 NIST
ΔfusH 15.90 kJ/mol 304.1 NIST
ΔfusH 14.80 kJ/mol 304.1 NIST
ΔfusH 15.82 kJ/mol 304.2 NIST
ΔfusH 15.82 kJ/mol 304.2 NIST
ΔfusH 15.82 kJ/mol 304.2 NIST
ΔfusH 14.80 kJ/mol 305.4 NIST
ΔsubH 74.80 kJ/mol 288.0 NIST
ΔsubH 76.00 ± 0.80 kJ/mol 288.0 NIST
ΔvapH [44.00; 58.50] kJ/mol [356.50; 573.50] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 58.50 kJ/mol 356.5 NIST
ΔvapH 51.30 kJ/mol 428.0 NIST
ΔvapH 50.10 kJ/mol 434.5 NIST
ΔvapH 48.20 kJ/mol 438.5 NIST
ΔvapH 46.20 kJ/mol 494.5 NIST
ΔvapH 44.00 kJ/mol 573.5 NIST
ΔfusS 46.00 J/mol×K 303.0 NIST
ΔfusS 49.00 J/mol×K 304.05 NIST
ΔfusS 52.00 J/mol×K 304.2 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH3 1
-OH (phenol) 1
=CH- (ring) 4

Similar Compounds

2-OH-benzyl. 2-Me-phenoxy. 1,3-Benzenediol, 2-methyl-. Phenol, 2,6-dimethyl-. 1,4-Benzenediol, 2-methyl-. Phenol, 2,5-dimethyl-. Phenol, 2,4-dimethyl-. 4-OH-benzyl. Phenol, 4-methyl-. 4-Me-phenoxy. Salicyl alcohol. Salicylaldehyde copper chelate. Phenol, 2-ethenyl-. Benzaldehyde, 2-hydroxy-. Phenol, 2-ethyl-.

Find more compounds similar to Phenol, 2-methyl-.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.