Chemical Properties of Phenol, 4-[1-ethyl-2-methyl-1-(1-methylpropyl)propyl]

InChI

InChI=1S/C16H26O/c1-6-13(5)16(7-2,12(3)4)14-8-10-15(17)11-9-14/h8-13,17H,6-7H2,1-5H3

InChI Key

DDJFQXYNOJOKOE-UHFFFAOYSA-N

Formula

C16H26O

SMILES

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

Molecular Weight¹

234.38

• 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).
• 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
ΔfG°	39.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-333.66	kJ/mol	Joback Calculated Property
ΔfusH°	22.56	kJ/mol	Joback Calculated Property
ΔvapH°	64.43	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	4.742		Crippen Calculated Property
McVol	218.410	ml/mol	McGowan Calculated Property
Pc	1994.77	kPa	Joback Calculated Property
Inp	[1798.00; 1798.00]
Inp	1798.00		NIST
Inp	1798.00		NIST
Tboil	668.67	K	Joback Calculated Property
Tc	886.06	K	Joback Calculated Property
Tfus	380.64	K	Joback Calculated Property
Vc	0.766	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[614.70; 710.92]	J/mol×K	[668.67; 886.06]
Cp,gas	614.70	J/mol×K	668.67	Joback Calculated Property
Cp,gas	633.29	J/mol×K	704.90	Joback Calculated Property
Cp,gas	650.70	J/mol×K	741.13	Joback Calculated Property
Cp,gas	667.06	J/mol×K	777.36	Joback Calculated Property
Cp,gas	682.47	J/mol×K	813.60	Joback Calculated Property
Cp,gas	697.05	J/mol×K	849.83	Joback Calculated Property
Cp,gas	710.92	J/mol×K	886.06	Joback Calculated Property
η	[0.0000117; 0.0023307]	Pa×s	[380.64; 668.67]
η	0.0023307	Pa×s	380.64	Joback Calculated Property
η	0.0005882	Pa×s	428.64	Joback Calculated Property
η	0.0001959	Pa×s	476.65	Joback Calculated Property
η	0.0000798	Pa×s	524.65	Joback Calculated Property
η	0.0000378	Pa×s	572.66	Joback Calculated Property
η	0.0000201	Pa×s	620.67	Joback Calculated Property
η	0.0000117	Pa×s	668.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-[1-ethyl-2-methyl-1-(1-methylpropyl)propyl].

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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