Chemical Properties of Phenol, 4-(2-ethyl-1,1-dimethylbutyl)

InChI

InChI=1S/C14H22O/c1-5-11(6-2)14(3,4)12-7-9-13(15)10-8-12/h7-11,15H,5-6H2,1-4H3

InChI Key

KDAVNYSBTBWHQK-UHFFFAOYSA-N

Formula

C14H22O

SMILES

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

Molecular Weight¹

206.32

• 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	0.6002		Relay (1.0) Calculated Property
ΔfG°	25.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-250.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.90	kJ/mol	Joback Calculated Property
ΔvapH°	79.79	kJ/mol	Relay (1.0) Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
log10WS	-4.23		Relay (1.0) Calculated Property
logPoct/wat	4.106		Crippen Calculated Property
McVol	190.230	ml/mol	McGowan Calculated Property
Pc	2367.97	kPa	Joback Calculated Property
Inp	[1729.00; 1729.00]
Inp	1729.00		NIST
Inp	1729.00		NIST
Tboil	569.27	K	Relay (1.0) Calculated Property
Tc	788.41	K	Relay (1.0) Calculated Property
Tfus	347.88	K	Relay (1.0) Calculated Property
Vc	0.624	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[508.87; 598.69]	J/mol×K	[623.35; 844.06]
Cp,gas	508.87	J/mol×K	623.35	Joback Calculated Property
Cp,gas	526.41	J/mol×K	660.13	Joback Calculated Property
Cp,gas	542.77	J/mol×K	696.92	Joback Calculated Property
Cp,gas	558.07	J/mol×K	733.70	Joback Calculated Property
Cp,gas	572.41	J/mol×K	770.49	Joback Calculated Property
Cp,gas	585.91	J/mol×K	807.27	Joback Calculated Property
Cp,gas	598.69	J/mol×K	844.06	Joback Calculated Property
η	[0.0000203; 0.0024425]	Pa×s	[373.10; 623.35]
η	0.0024425	Pa×s	373.10	Joback Calculated Property
η	0.0007356	Pa×s	414.81	Joback Calculated Property
η	0.0002758	Pa×s	456.52	Joback Calculated Property
η	0.0001219	Pa×s	498.22	Joback Calculated Property
η	0.0000611	Pa×s	539.93	Joback Calculated Property
η	0.0000338	Pa×s	581.64	Joback Calculated Property
η	0.0000203	Pa×s	623.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-(2-ethyl-1,1-dimethylbutyl).

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.