Chemical Properties of Phenol, 4-(1,3,4-trimethylhexyl)

InChI

InChI=1S/C15H24O/c1-5-11(2)12(3)10-13(4)14-6-8-15(16)9-7-14/h6-9,11-13,16H,5,10H2,1-4H3

InChI Key

XYQOQBIDJJNGRR-UHFFFAOYSA-N

Formula

C15H24O

SMILES

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

Molecular Weight¹

220.36

• ω : Acentric Factor.
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.6449		Relay (1.0) Calculated Property
ΔfH°gas	-297.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.86	kJ/mol	Joback Calculated Property
ΔvapH°	86.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	4.568		Crippen Calculated Property
McVol	204.320	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[1733.00; 1733.00]
Inp	1733.00		NIST
Inp	1733.00		NIST
Inp	1733.00		NIST
Tboil	580.33	K	Relay (1.0) Calculated Property
Tc	793.77	K	Relay (1.0) Calculated Property
Tfus	324.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[559.07; 652.01]	J/mol×K	[648.78; 862.23]
Cp,gas	559.07	J/mol×K	648.78	Joback Calculated Property
Cp,gas	576.94	J/mol×K	684.36	Joback Calculated Property
Cp,gas	593.75	J/mol×K	719.93	Joback Calculated Property
Cp,gas	609.57	J/mol×K	755.51	Joback Calculated Property
Cp,gas	624.50	J/mol×K	791.08	Joback Calculated Property
Cp,gas	638.61	J/mol×K	826.66	Joback Calculated Property
Cp,gas	652.01	J/mol×K	862.23	Joback Calculated Property
η	[0.0000157; 0.0046742]	Pa×s	[351.95; 648.78]
η	0.0046742	Pa×s	351.95	Joback Calculated Property
η	0.0010075	Pa×s	401.42	Joback Calculated Property
η	0.0003041	Pa×s	450.89	Joback Calculated Property
η	0.0001163	Pa×s	500.37	Joback Calculated Property
η	0.0000529	Pa×s	549.84	Joback Calculated Property
η	0.0000274	Pa×s	599.31	Joback Calculated Property
η	0.0000157	Pa×s	648.78	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
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