Chemical Properties of Phenol, 4-(1,1-diethyl-3-methylbutyl)

InChI

InChI=1S/C15H24O/c1-5-15(6-2,11-12(3)4)13-7-9-14(16)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3

InChI Key

NNVWEJWZMQMNFU-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CCC(CC)(CC(C)C)c1ccc(O)cc1

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).
• 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).
• 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	-277.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.49	kJ/mol	Joback Calculated Property
ΔvapH°	84.37	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-4.45		Relay (1.0) Calculated Property
logPoct/wat	4.496		Crippen Calculated Property
McVol	204.320	ml/mol	McGowan Calculated Property
Inp	[1748.00; 1748.00]
Inp	1748.00		NIST
Inp	1748.00		NIST
Inp	1748.00		NIST
Tboil	582.10	K	Relay (1.0) Calculated Property
Tfus	370.78	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.01; 653.36]	J/mol×K	[646.43; 863.36]
Cp,gas	561.01	J/mol×K	646.43	Joback Calculated Property
Cp,gas	578.91	J/mol×K	682.59	Joback Calculated Property
Cp,gas	595.65	J/mol×K	718.74	Joback Calculated Property
Cp,gas	611.36	J/mol×K	754.90	Joback Calculated Property
Cp,gas	626.14	J/mol×K	791.05	Joback Calculated Property
Cp,gas	640.10	J/mol×K	827.21	Joback Calculated Property
Cp,gas	653.36	J/mol×K	863.36	Joback Calculated Property
η	[0.0000159; 0.0019247]	Pa×s	[384.37; 646.43]
η	0.0019247	Pa×s	384.37	Joback Calculated Property
η	0.0005756	Pa×s	428.05	Joback Calculated Property
η	0.0002152	Pa×s	471.72	Joback Calculated Property
η	0.0000951	Pa×s	515.40	Joback Calculated Property
η	0.0000477	Pa×s	559.08	Joback Calculated Property
η	0.0000265	Pa×s	602.75	Joback Calculated Property
η	0.0000159	Pa×s	646.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-(1,1-diethyl-3-methylbutyl).

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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