Chemical Properties of Phenol, 2-chloro-4-(1,1,3,3-tetramethylbutyl)- (CAS 17199-24-5)

InChI

InChI=1S/C14H21ClO/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10/h6-8,16H,9H2,1-5H3

InChI Key

CLYCAZNGUGDEBH-UHFFFAOYSA-N

Formula

C14H21ClO

SMILES

CC(C)(C)CC(C)(C)c1ccc(O)c(Cl)c1

Molecular Weight¹

240.77

CAS

17199-24-5

• 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°	8.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-317.78	kJ/mol	Joback Calculated Property
ΔfusH°	20.82	kJ/mol	Joback Calculated Property
ΔvapH°	64.50	kJ/mol	Joback Calculated Property
log10WS	-4.45		Crippen Calculated Property
logPoct/wat	4.759		Crippen Calculated Property
McVol	202.470	ml/mol	McGowan Calculated Property
Pc	2276.24	kPa	Joback Calculated Property
Inp	[1765.00; 1765.00]
Inp	1765.00		NIST
Inp	1765.00		NIST
Tboil	662.97	K	Joback Calculated Property
Tc	896.28	K	Joback Calculated Property
Tfus	432.96	K	Joback Calculated Property
Vc	0.705	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.54; 623.17]	J/mol×K	[662.97; 896.28]
Cp,gas	539.54	J/mol×K	662.97	Joback Calculated Property
Cp,gas	555.92	J/mol×K	701.86	Joback Calculated Property
Cp,gas	571.12	J/mol×K	740.74	Joback Calculated Property
Cp,gas	585.28	J/mol×K	779.63	Joback Calculated Property
Cp,gas	598.58	J/mol×K	818.51	Joback Calculated Property
Cp,gas	611.16	J/mol×K	857.40	Joback Calculated Property
Cp,gas	623.17	J/mol×K	896.28	Joback Calculated Property
η	[0.0000138; 0.0006330]	Pa×s	[432.96; 662.97]
η	0.0006330	Pa×s	432.96	Joback Calculated Property
η	0.0002581	Pa×s	471.29	Joback Calculated Property
η	0.0001204	Pa×s	509.63	Joback Calculated Property
η	0.0000625	Pa×s	547.97	Joback Calculated Property
η	0.0000354	Pa×s	586.30	Joback Calculated Property
η	0.0000214	Pa×s	624.63	Joback Calculated Property
η	0.0000138	Pa×s	662.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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