Chemical Properties of Phenol, 4-(1-propyl-2,2-dimethylbutyl)

InChI

InChI=1S/C15H24O/c1-5-7-14(15(3,4)6-2)12-8-10-13(16)11-9-12/h8-11,14,16H,5-7H2,1-4H3

InChI Key

DUXDKGWRMAHAAD-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CCCC(c1ccc(O)cc1)C(C)(C)CC

Molecular Weight¹

220.36

• 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

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	[281.55; 699.09]	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			-7.97270e+01
Coefficient B			1.63628e+00
Coefficient C			-1.25476e-03
Coefficient D			3.97300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.55	J/mol×K	273.00	Calculated Property
Cp,gas	359.70	J/mol×K	353.78	Calculated Property
Cp,gas	426.98	J/mol×K	434.56	Calculated Property
Cp,gas	484.65	J/mol×K	515.33	Calculated Property
Cp,gas	533.96	J/mol×K	596.11	Calculated Property
Cp,gas	576.17	J/mol×K	676.89	Calculated Property
Cp,gas	612.53	J/mol×K	757.67	Calculated Property
Cp,gas	644.30	J/mol×K	838.44	Calculated Property
Cp,gas	672.73	J/mol×K	919.22	Calculated Property
Cp,gas	699.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019247; 0.0000260]	Pa×s	[384.37; 604.35]	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			-1.80838e+01
Coefficient B			4.54740e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			384.37
Temperature range, max.			604.35
η	0.0019247	Pa×s	384.37	Calculated Property
η	0.0009488	Pa×s	408.81	Calculated Property
η	0.0005066	Pa×s	433.25	Calculated Property
η	0.0002892	Pa×s	457.70	Calculated Property
η	0.0001748	Pa×s	482.14	Calculated Property
η	0.0001109	Pa×s	506.58	Calculated Property
η	0.0000733	Pa×s	531.02	Calculated Property
η	0.0000503	Pa×s	555.47	Calculated Property
η	0.0000356	Pa×s	579.91	Calculated Property
η	0.0000260	Pa×s	604.35	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-(1-propyl-2,2-dimethylbutyl).

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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