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

• 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).
• 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
ω	0.5717		Relay (1.0) Calculated Property
ΔfG°	-18.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-195.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.09	kJ/mol	Joback Calculated Property
ΔvapH°	76.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-2.28		Relay (1.0) 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	717.34	K	Relay (1.0) Calculated Property
Tfus	[310.40; 311.15]	K
Tfus	310.40 ± 2.00	K	NIST
Tfus	310.90 ± 2.00	K	NIST
Tfus	310.65 ± 2.00	K	NIST
Tfus	310.65 ± 2.00	K	NIST
Tfus	311.00 ± 3.00	K	NIST
Tfus	311.15 ± 2.00	K	NIST
Tfus	310.90 ± 2.00	K	NIST
Vc	0.474	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.80; 436.09]	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			-3.47280e+01
Coefficient B			9.70040e-01
Coefficient C			-7.40720e-04
Coefficient D			2.41500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.80	J/mol×K	273.00	Calculated Property
Cp,gas	226.44	J/mol×K	353.78	Calculated Property
Cp,gas	266.75	J/mol×K	434.56	Calculated Property
Cp,gas	301.50	J/mol×K	515.33	Calculated Property
Cp,gas	331.47	J/mol×K	596.11	Calculated Property
Cp,gas	357.40	J/mol×K	676.89	Calculated Property
Cp,gas	380.06	J/mol×K	757.67	Calculated Property
Cp,gas	400.22	J/mol×K	838.44	Calculated Property
Cp,gas	418.65	J/mol×K	919.22	Calculated Property
Cp,gas	436.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0095211; 0.0000632]	Pa×s	[310.81; 532.18]	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			-1.67099e+01
Coefficient B			3.74698e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			310.81
Temperature range, max.			532.18
η	0.0095211	Pa×s	310.81	Calculated Property
η	0.0039330	Pa×s	335.40	Calculated Property
η	0.0018333	Pa×s	360.00	Calculated Property
η	0.0009422	Pa×s	384.60	Calculated Property
η	0.0005246	Pa×s	409.19	Calculated Property
η	0.0003121	Pa×s	433.79	Calculated Property
η	0.0001963	Pa×s	458.39	Calculated Property
η	0.0001295	Pa×s	482.99	Calculated Property
η	0.0000889	Pa×s	507.58	Calculated Property
η	0.0000632	Pa×s	532.18	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[372.92; 519.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.