Chemical Properties of Phenol, 4-(1-ethyl-1-methylhexyl)

InChI

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

InChI Key

QQKQQJZGUCFUPP-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CCCCCC(C)(CC)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	-283.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.02	kJ/mol	Joback Calculated Property
ΔvapH°	87.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	4.640		Crippen Calculated Property
McVol	204.320	ml/mol	McGowan Calculated Property
Inp	[1752.00; 1759.00]
Inp	1752.00		NIST
Inp	1758.00		NIST
Inp	1759.00		NIST
Inp	1752.00		NIST
Inp	1758.00		NIST
Tboil	584.49	K	Relay (1.0) Calculated Property
Tfus	331.58	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.86; 698.55]	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			-7.80450e+01
Coefficient B			1.63036e+00
Coefficient C			-1.25156e-03
Coefficient D			3.97800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.86	J/mol×K	273.00	Calculated Property
Cp,gas	359.71	J/mol×K	353.78	Calculated Property
Cp,gas	426.74	J/mol×K	434.56	Calculated Property
Cp,gas	484.20	J/mol×K	515.33	Calculated Property
Cp,gas	533.36	J/mol×K	596.11	Calculated Property
Cp,gas	575.46	J/mol×K	676.89	Calculated Property
Cp,gas	611.78	J/mol×K	757.67	Calculated Property
Cp,gas	643.56	J/mol×K	838.44	Calculated Property
Cp,gas	672.07	J/mol×K	919.22	Calculated Property
Cp,gas	698.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012837; 0.0000288]	Pa×s	[399.37; 601.74]	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			-1.79498e+01
Coefficient B			4.50958e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			399.37
Temperature range, max.			601.74
η	0.0012837	Pa×s	399.37	Calculated Property
η	0.0007032	Pa×s	421.86	Calculated Property
η	0.0004094	Pa×s	444.34	Calculated Property
η	0.0002511	Pa×s	466.83	Calculated Property
η	0.0001611	Pa×s	489.31	Calculated Property
η	0.0001074	Pa×s	511.80	Calculated Property
η	0.0000742	Pa×s	534.29	Calculated Property
η	0.0000527	Pa×s	556.77	Calculated Property
η	0.0000385	Pa×s	579.26	Calculated Property
η	0.0000288	Pa×s	601.74	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-(1-ethyl-1-methylhexyl).

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.