Chemical Properties of 4-(1-Hydroxyallyl)-2-methoxyphenol (CAS 112465-50-6)

InChI

InChI=1S/C10H12O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h3-6,8,11-12H,1H2,2H3

InChI Key

CAQJZUXHKMYJEF-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

C=CC(O)c1ccc(O)c(OC)c1

Molecular Weight¹

180.20

CAS

112465-50-6

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-362.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.56	kJ/mol	Joback Calculated Property
ΔvapH°	92.43	kJ/mol	Relay (1.0) Calculated Property
log10WS	-0.93		Relay (1.0) Calculated Property
logPoct/wat	1.620		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Inp	[1576.70; 1576.70]
Inp	1576.70		NIST
Inp	1576.70		NIST
Tboil	540.89	K	Relay (1.0) Calculated Property
Tfus	356.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[197.58; 445.29]	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			-8.61000e+00
Coefficient B			9.26720e-01
Coefficient C			-6.86220e-04
Coefficient D			2.13400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.58	J/mol×K	273.00	Calculated Property
Cp,gas	242.81	J/mol×K	353.78	Calculated Property
Cp,gas	282.03	J/mol×K	434.56	Calculated Property
Cp,gas	315.93	J/mol×K	515.33	Calculated Property
Cp,gas	345.17	J/mol×K	596.11	Calculated Property
Cp,gas	370.45	J/mol×K	676.89	Calculated Property
Cp,gas	392.42	J/mol×K	757.67	Calculated Property
Cp,gas	411.77	J/mol×K	838.44	Calculated Property
Cp,gas	429.17	J/mol×K	919.22	Calculated Property
Cp,gas	445.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007556; 0.0000134]	Pa×s	[419.41; 602.79]	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			-2.04479e+01
Coefficient B			5.56132e+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.			419.41
Temperature range, max.			602.79
η	0.0007556	Pa×s	419.41	Calculated Property
η	0.0004088	Pa×s	439.79	Calculated Property
η	0.0002335	Pa×s	460.16	Calculated Property
η	0.0001399	Pa×s	480.54	Calculated Property
η	0.0000874	Pa×s	500.91	Calculated Property
η	0.0000566	Pa×s	521.29	Calculated Property
η	0.0000379	Pa×s	541.67	Calculated Property
η	0.0000261	Pa×s	562.04	Calculated Property
η	0.0000185	Pa×s	582.42	Calculated Property
η	0.0000134	Pa×s	602.79	Calculated Property

Similar Compounds

Find more compounds similar to 4-(1-Hydroxyallyl)-2-methoxyphenol.

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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