Chemical Properties of Phenol, 3-butoxy- (CAS 18979-72-1)

InChI

InChI=1S/C10H14O2/c1-2-3-7-12-10-6-4-5-9(11)8-10/h4-6,8,11H,2-3,7H2,1H3

InChI Key

VGIJZDWQVCXVNL-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

CCCCOc1cccc(O)c1

Molecular Weight¹

166.22

CAS

18979-72-1

Other Names

• 3-butoxyphenol

• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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	[192.65; 457.63]	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			-2.35270e+01
Coefficient B			9.66320e-01
Coefficient C			-6.96760e-04
Coefficient D			2.11600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.65	J/mol×K	273.00	Calculated Property
Cp,gas	240.50	J/mol×K	353.78	Calculated Property
Cp,gas	282.18	J/mol×K	434.56	Calculated Property
Cp,gas	318.37	J/mol×K	515.33	Calculated Property
Cp,gas	349.74	J/mol×K	596.11	Calculated Property
Cp,gas	376.95	J/mol×K	676.89	Calculated Property
Cp,gas	400.67	J/mol×K	757.67	Calculated Property
Cp,gas	421.58	J/mol×K	838.44	Calculated Property
Cp,gas	440.35	J/mol×K	919.22	Calculated Property
Cp,gas	457.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018663; 0.0000526]	Pa×s	[362.83; 541.85]	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			-1.70887e+01
Coefficient B			3.92033e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			362.83
Temperature range, max.			541.85
η	0.0018663	Pa×s	362.83	Calculated Property
η	0.0010644	Pa×s	382.72	Calculated Property
η	0.0006417	Pa×s	402.61	Calculated Property
η	0.0004057	Pa×s	422.50	Calculated Property
η	0.0002673	Pa×s	442.40	Calculated Property
η	0.0001826	Pa×s	462.29	Calculated Property
η	0.0001287	Pa×s	482.18	Calculated Property
η	0.0000932	Pa×s	502.07	Calculated Property
η	0.0000692	Pa×s	521.96	Calculated Property
η	0.0000526	Pa×s	541.85	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 3-butoxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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