Chemical Properties of Phenol, 4-(1,1,2,2,3-pentamethylhexyl)

InChI

InChI=1S/C17H28O/c1-7-8-13(2)16(3,4)17(5,6)14-9-11-15(18)12-10-14/h9-13,18H,7-8H2,1-6H3

InChI Key

BSHAVJLLESPAAH-UHFFFAOYSA-N

Formula

C17H28O

SMILES

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

Molecular Weight¹

248.40

• 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	-297.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.26	kJ/mol	Joback Calculated Property
ΔvapH°	85.97	kJ/mol	Relay (1.0) Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-4.73		Relay (1.0) Calculated Property
logPoct/wat	5.132		Crippen Calculated Property
McVol	232.500	ml/mol	McGowan Calculated Property
Inp	[1783.00; 1783.00]
Inp	1783.00		NIST
Inp	1783.00		NIST
Tboil	587.66	K	Relay (1.0) Calculated Property
Tfus	363.12	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	[322.51; 803.74]	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			-1.06018e+02
Coefficient B			1.95212e+00
Coefficient C			-1.53536e-03
Coefficient D			4.93000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.51	J/mol×K	273.00	Calculated Property
Cp,gas	414.26	J/mol×K	353.78	Calculated Property
Cp,gas	492.81	J/mol×K	434.56	Calculated Property
Cp,gas	559.70	J/mol×K	515.33	Calculated Property
Cp,gas	616.51	J/mol×K	596.11	Calculated Property
Cp,gas	664.78	J/mol×K	676.89	Calculated Property
Cp,gas	706.08	J/mol×K	757.67	Calculated Property
Cp,gas	741.97	J/mol×K	838.44	Calculated Property
Cp,gas	774.00	J/mol×K	919.22	Calculated Property
Cp,gas	803.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011840; 0.0000153]	Pa×s	[409.33; 637.23]	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			-1.88959e+01
Coefficient B			4.97626e+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.			409.33
Temperature range, max.			637.23
η	0.0011840	Pa×s	409.33	Calculated Property
η	0.0005831	Pa×s	434.65	Calculated Property
η	0.0003105	Pa×s	459.97	Calculated Property
η	0.0001766	Pa×s	485.30	Calculated Property
η	0.0001062	Pa×s	510.62	Calculated Property
η	0.0000670	Pa×s	535.94	Calculated Property
η	0.0000441	Pa×s	561.26	Calculated Property
η	0.0000301	Pa×s	586.58	Calculated Property
η	0.0000212	Pa×s	611.90	Calculated Property
η	0.0000153	Pa×s	637.23	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-(1,1,2,2,3-pentamethylhexyl).

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.