Chemical Properties of Phenol-d6-

InChI

InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D/hD

InChI Key

ISWSIDIOOBJBQZ-QNKSCLMFSA-N

Formula

C6H6O

SMILES

[2H]Oc1c([2H])c([2H])c([2H])c([2H])c1[2H]

Molecular Weight¹

100.15

Other Names

• (2H6)phenol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[89.84; 235.81]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.96900e+01
Coefficient B			7.09000e-01
Coefficient C			-6.57200e-04
Coefficient D			2.43700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	89.84	J/mol×K	273.00	Calculated Property
Cp,gas	119.67	J/mol×K	353.78	Calculated Property
Cp,gas	144.30	J/mol×K	434.56	Calculated Property
Cp,gas	164.50	J/mol×K	515.33	Calculated Property
Cp,gas	181.04	J/mol×K	596.11	Calculated Property
Cp,gas	194.69	J/mol×K	676.89	Calculated Property
Cp,gas	206.22	J/mol×K	757.67	Calculated Property
Cp,gas	216.40	J/mol×K	838.44	Calculated Property
Cp,gas	226.01	J/mol×K	919.22	Calculated Property
Cp,gas	235.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0144690; 0.0001098]	Pa×s	[283.00; 469.92]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.65073e+01
Coefficient B			3.47286e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			283.00
Temperature range, max.			469.92
η	0.0144690	Pa×s	283.00	Calculated Property
η	0.0062525	Pa×s	303.77	Calculated Property
η	0.0030082	Pa×s	324.54	Calculated Property
η	0.0015805	Pa×s	345.31	Calculated Property
η	0.0008933	Pa×s	366.08	Calculated Property
η	0.0005368	Pa×s	386.85	Calculated Property
η	0.0003397	Pa×s	407.61	Calculated Property
η	0.0002248	Pa×s	428.38	Calculated Property
η	0.0001545	Pa×s	449.15	Calculated Property
η	0.0001098	Pa×s	469.92	Calculated Property

Similar Compounds

Find more compounds similar to Phenol-d6-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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