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_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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-323.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.82	kJ/mol	Joback Calculated Property
ΔvapH°	74.67	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.05		Relay (1.0) Calculated Property
logPoct/wat	4.759		Crippen Calculated Property
McVol	202.470	ml/mol	McGowan Calculated Property
Inp	[1765.00; 1765.00]
Inp	1765.00		NIST
Inp	1765.00		NIST
Tboil	537.46	K	Relay (1.0) Calculated Property
Tfus	351.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.14; 653.66]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.44190e+01
Coefficient B			1.60850e+00
Coefficient C			-1.32232e-03
Coefficient D			4.41900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.14	J/mol×K	273.00	Calculated Property
Cp,gas	348.70	J/mol×K	353.78	Calculated Property
Cp,gas	411.12	J/mol×K	434.56	Calculated Property
Cp,gas	463.80	J/mol×K	515.33	Calculated Property
Cp,gas	508.15	J/mol×K	596.11	Calculated Property
Cp,gas	545.55	J/mol×K	676.89	Calculated Property
Cp,gas	577.40	J/mol×K	757.67	Calculated Property
Cp,gas	605.11	J/mol×K	838.44	Calculated Property
Cp,gas	630.06	J/mol×K	919.22	Calculated Property
Cp,gas	653.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006330; 0.0000207]	Pa×s	[432.96; 627.59]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.83961e+01
Coefficient B			4.77602e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			432.96
Temperature range, max.			627.59
η	0.0006330	Pa×s	432.96	Calculated Property
η	0.0003745	Pa×s	454.59	Calculated Property
η	0.0002324	Pa×s	476.21	Calculated Property
η	0.0001503	Pa×s	497.84	Calculated Property
η	0.0001008	Pa×s	519.46	Calculated Property
η	0.0000698	Pa×s	541.09	Calculated Property
η	0.0000497	Pa×s	562.71	Calculated Property
η	0.0000363	Pa×s	584.34	Calculated Property
η	0.0000271	Pa×s	605.96	Calculated Property
η	0.0000207	Pa×s	627.59	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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