Chemical Properties of 2-Isopropoxyphenol (CAS 4812-20-8)

InChI

InChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3

InChI Key

ZNCUUYCDKVNVJH-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

CC(C)Oc1ccccc1O

Molecular Weight¹

152.19

CAS

4812-20-8

Other Names

• Phenol, 2-(1-methylethoxy)-
• o-Isopropoxyphenol
• Phenol, 2-isopropoxy

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[171.13; 406.58]	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			-2.43000e+01
Coefficient B			8.77240e-01
Coefficient C			-6.45560e-04
Coefficient D			1.99200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.13	J/mol×K	273.00	Calculated Property
Cp,gas	214.07	J/mol×K	353.78	Calculated Property
Cp,gas	251.35	J/mol×K	434.56	Calculated Property
Cp,gas	283.59	J/mol×K	515.33	Calculated Property
Cp,gas	311.43	J/mol×K	596.11	Calculated Property
Cp,gas	335.49	J/mol×K	676.89	Calculated Property
Cp,gas	356.41	J/mol×K	757.67	Calculated Property
Cp,gas	374.81	J/mol×K	838.44	Calculated Property
Cp,gas	391.32	J/mol×K	919.22	Calculated Property
Cp,gas	406.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035849; 0.0000530]	Pa×s	[336.56; 531.68]	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			-1.71119e+01
Coefficient B			3.86399e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			336.56
Temperature range, max.			531.68
η	0.0035849	Pa×s	336.56	Calculated Property
η	0.0017895	Pa×s	358.24	Calculated Property
η	0.0009670	Pa×s	379.92	Calculated Property
η	0.0005585	Pa×s	401.60	Calculated Property
η	0.0003412	Pa×s	423.28	Calculated Property
η	0.0002187	Pa×s	444.96	Calculated Property
η	0.0001461	Pa×s	466.64	Calculated Property
η	0.0001011	Pa×s	488.32	Calculated Property
η	0.0000723	Pa×s	510.00	Calculated Property
η	0.0000530	Pa×s	531.68	Calculated Property

Similar Compounds

Find more compounds similar to 2-Isopropoxyphenol.

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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