Chemical Properties of Phenol, 2,6-diethyl- (CAS 1006-59-3)

InChI

InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3

InChI Key

METWAQRCMRWDAW-UHFFFAOYSA-N

Formula

C10H14O

SMILES

CCc1cccc(CC)c1O

Molecular Weight¹

150.22

CAS

1006-59-3

Other Names

• 2,6-diethylphenol

• 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).
• P_vap : Vapor 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°	-18.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.98	kJ/mol	Joback Calculated Property
ΔfusH°	21.09	kJ/mol	Joback Calculated Property
ΔvapH°	53.81	kJ/mol	Joback Calculated Property
log10WS	-2.63		Crippen Calculated Property
logPoct/wat	2.517		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3407.89	kPa	Joback Calculated Property
Inp	1218.00		NIST
Tboil	[491.15; 492.15]	K
Tboil	492.15 ± 3.00	K	NIST
Tboil	492.15 ± 3.00	K	NIST
Tboil	491.15 ± 3.00	K	NIST
Tc	759.98	K	Joback Calculated Property
Tfus	353.12	K	Joback Calculated Property
Vc	0.454	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[311.31; 380.67]	J/mol×K	[540.48; 759.98]
Cp,gas	311.31	J/mol×K	540.48	Joback Calculated Property
Cp,gas	324.79	J/mol×K	577.06	Joback Calculated Property
Cp,gas	337.41	J/mol×K	613.65	Joback Calculated Property
Cp,gas	349.24	J/mol×K	650.23	Joback Calculated Property
Cp,gas	360.34	J/mol×K	686.81	Joback Calculated Property
Cp,gas	370.79	J/mol×K	723.39	Joback Calculated Property
Cp,gas	380.67	J/mol×K	759.98	Joback Calculated Property
η	[0.0000567; 0.0022455]	Pa×s	[353.12; 540.48]
η	0.0022455	Pa×s	353.12	Joback Calculated Property
η	0.0009482	Pa×s	384.35	Joback Calculated Property
η	0.0004558	Pa×s	415.57	Joback Calculated Property
η	0.0002427	Pa×s	446.80	Joback Calculated Property
η	0.0001403	Pa×s	478.03	Joback Calculated Property
η	0.0000868	Pa×s	509.25	Joback Calculated Property
η	0.0000567	Pa×s	540.48	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[372.92; 519.47]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54325e+01
Coefficient B			-4.47125e+03
Coefficient C			-7.76900e+01
Temperature range, min.			372.92
Temperature range, max.			519.47
Pvap	1.33	kPa	372.92	Calculated Property
Pvap	2.94	kPa	389.20	Calculated Property
Pvap	6.00	kPa	405.49	Calculated Property
Pvap	11.45	kPa	421.77	Calculated Property
Pvap	20.59	kPa	438.05	Calculated Property
Pvap	35.21	kPa	454.34	Calculated Property
Pvap	57.59	kPa	470.62	Calculated Property
Pvap	90.57	kPa	486.90	Calculated Property
Pvap	137.58	kPa	503.19	Calculated Property
Pvap	202.66	kPa	519.47	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,6-diethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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