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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6286		Relay (... Calculated Property
ΔfG°	53.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-297.39	kJ/mol	Relay (... Calculated Property
ΔfusH°	21.26	kJ/mol	Joback Calculated Property
ΔvapH°	84.38	kJ/mol	Relay (... Calculated Property
IE	7.91	eV	Relay (... Calculated Property
log10WS	-4.73		Relay (... Calculated Property
logPoct/wat	5.132		Crippen Calculated Property
McVol	232.500	ml/mol	McGowan Calculated Property
Pc	1851.52	kPa	Joback Calculated Property
Inp	[1783.00; 1783.00]
Inp	1783.00		NIST
Inp	1783.00		NIST
Tboil	587.66	K	Relay (... Calculated Property
Tc	819.29	K	Relay (... Calculated Property
Tfus	374.30	K	Relay (... Calculated Property
Vc	0.768	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.25; 770.51]	J/mol×K	[688.76; 910.06]
Cp,gas	671.25	J/mol×K	688.76	Joback Calculated Property
Cp,gas	690.44	J/mol×K	725.64	Joback Calculated Property
Cp,gas	708.38	J/mol×K	762.53	Joback Calculated Property
Cp,gas	725.20	J/mol×K	799.41	Joback Calculated Property
Cp,gas	741.07	J/mol×K	836.29	Joback Calculated Property
Cp,gas	756.12	J/mol×K	873.18	Joback Calculated Property
Cp,gas	770.51	J/mol×K	910.06	Joback Calculated Property
η	[0.0000085; 0.0011840]	Pa×s	[409.33; 688.76]
η	0.0011840	Pa×s	409.33	Joback Calculated Property
η	0.0003420	Pa×s	455.90	Joback Calculated Property
η	0.0001244	Pa×s	502.47	Joback Calculated Property
η	0.0000537	Pa×s	549.04	Joback Calculated Property
η	0.0000264	Pa×s	595.62	Joback Calculated Property
η	0.0000144	Pa×s	642.19	Joback Calculated Property
η	0.0000085	Pa×s	688.76	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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