Chemical Properties of Phenol, 2,4-bis(1-methylethyl)- (CAS 2934-05-6)

InChI

InChI=1S/C12H18O/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9,13H,1-4H3

InChI Key

KEUMBYCOWGLRBQ-UHFFFAOYSA-N

Formula

C12H18O

SMILES

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

Molecular Weight¹

178.27

CAS

2934-05-6

Other Names

• Phenol, 2,4-diisopropyl-
• 2,4-Diisopropylphenol

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• 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
ΔcH°liquid	-6979.00	kJ/mol	NIST
ΔfH°gas	[-254.10; -228.00]	kJ/mol
ΔfH°gas	-254.10 ± 2.80	kJ/mol	NIST
ΔfH°gas	-228.00	kJ/mol	NIST
ΔfH°liquid	-310.00	kJ/mol	NIST
ΔfusH°	19.22	kJ/mol	Joback Calculated Property
ΔvapH°	[82.00; 86.11]	kJ/mol
ΔvapH°	86.11	kJ/mol	NIST
ΔvapH°	82.00	kJ/mol	NIST
IE	7.89	eV	Relay (1.0) Calculated Property
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	3.639		Crippen Calculated Property
McVol	162.050	ml/mol	McGowan Calculated Property
Pc	2802.44	kPa	Joback Calculated Property
Tboil	521.22	K	Relay (1.0) Calculated Property
Tc	747.66	K	Relay (1.0) Calculated Property
Tfus	335.11	K	Relay (1.0) Calculated Property
Vc	0.575	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.60; 540.35]	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			-3.99100e+01
Coefficient B			1.17188e+00
Coefficient C			-8.55920e-04
Coefficient D			2.64300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.60	J/mol×K	273.00	Calculated Property
Cp,gas	279.25	J/mol×K	353.78	Calculated Property
Cp,gas	329.39	J/mol×K	434.56	Calculated Property
Cp,gas	372.86	J/mol×K	515.33	Calculated Property
Cp,gas	410.50	J/mol×K	596.11	Calculated Property
Cp,gas	443.13	J/mol×K	676.89	Calculated Property
Cp,gas	471.59	J/mol×K	757.67	Calculated Property
Cp,gas	496.73	J/mol×K	838.44	Calculated Property
Cp,gas	519.37	J/mol×K	919.22	Calculated Property
Cp,gas	540.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036943; 0.0000409]	Pa×s	[345.66; 564.81]	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			-1.72047e+01
Coefficient B			4.01094e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			345.66
Temperature range, max.			564.81
η	0.0036943	Pa×s	345.66	Calculated Property
η	0.0017215	Pa×s	370.01	Calculated Property
η	0.0008815	Pa×s	394.36	Calculated Property
η	0.0004879	Pa×s	418.71	Calculated Property
η	0.0002882	Pa×s	443.06	Calculated Property
η	0.0001798	Pa×s	467.41	Calculated Property
η	0.0001176	Pa×s	491.76	Calculated Property
η	0.0000800	Pa×s	516.11	Calculated Property
η	0.0000564	Pa×s	540.46	Calculated Property
η	0.0000409	Pa×s	564.81	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.32; 102.33]	kPa	[395.00; 528.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51399e+01
Coefficient B			-4.77353e+03
Coefficient C			-7.38840e+01
Reference			von Terres, Gebert, et al., 1955
Temperature range, min.			395.00
Temperature range, max.			528.00
Pvap	1.32	kPa	395.00	Calculated Property
Pvap	2.53	kPa	409.78	Calculated Property
Pvap	4.61	kPa	424.56	Calculated Property
Pvap	7.99	kPa	439.33	Calculated Property
Pvap	13.27	kPa	454.11	Calculated Property
Pvap	21.23	kPa	468.89	Calculated Property
Pvap	32.82	kPa	483.67	Calculated Property
Pvap	49.23	kPa	498.44	Calculated Property
Pvap	71.86	kPa	513.22	Calculated Property
Pvap	102.33	kPa	528.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,4-bis(1-methylethyl)-.

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.
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