Chemical Properties of Phenol, 2-ethyl- (CAS 90-00-6)

InChI

InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3

InChI Key

IXQGCWUGDFDQMF-UHFFFAOYSA-N

Formula

C8H10O

SMILES

CCc1ccccc1O

Molecular Weight¹

122.16

CAS

90-00-6

Other Names

• 1-ETHYL-2-HYDROXYBENZENE
• 1-Hydroxy-2-ethylbenzene
• 2-ETHYLPHENOL
• Ethylphenol
• Florol
• NSC 10112
• PHLOROL
• Phenol, o-ethyl-
• o-Ethylphenol
• o-Hydroxyethylbenzene

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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
ΔcH°liquid	-4368.39	kJ/mol	NIST
ΔfG°	-25.73	kJ/mol	Joback Calculated Property
ΔfH°gas	[-145.80; -145.20]	kJ/mol
ΔfH°gas	-145.80	kJ/mol	KDB
ΔfH°gas	-145.20	kJ/mol	NIST
ΔfH°liquid	-208.80	kJ/mol	NIST
ΔfusH°	16.30	kJ/mol	Joback Calculated Property
ΔvapH°	[63.60; 64.50]	kJ/mol
ΔvapH°	64.50	kJ/mol	NIST
ΔvapH°	63.60	kJ/mol	NIST
ΔvapH°	63.60	kJ/mol	NIST
log10WS	-1.36		Aq. Sol...
logPoct/wat	1.955		Crippen Calculated Property
McVol	105.690	ml/mol	McGowan Calculated Property
Pc	4409.10	kPa	Joback Calculated Property
Inp	[188.30; 1177.00]
Inp	1110.00		NIST
Inp	1112.00		NIST
Inp	1112.00		NIST
Inp	1113.00		NIST
Inp	1106.00		NIST
Inp	1115.00		NIST
Inp	1118.00		NIST
Inp	1115.00		NIST
Inp	1104.00		NIST
Inp	1112.80		NIST
Inp	1108.00		NIST
Inp	1138.00		NIST
Inp	1148.70		NIST
Inp	1136.20		NIST
Inp	1136.50		NIST
Inp	1137.90		NIST
Inp	1160.00		NIST
Inp	1140.00		NIST
Inp	1114.00		NIST
Inp	1115.00		NIST
Inp	1145.00		NIST
Inp	1115.00		NIST
Inp	1111.00		NIST
Inp	1110.00		NIST
Inp	1113.00		NIST
Inp	1148.00		NIST
Inp	1175.00		NIST
Inp	1141.00		NIST
Inp	1168.00		NIST
Inp	1113.00		NIST
Inp	1177.00		NIST
Inp	Outlier 190.00		NIST
Inp	Outlier 189.73		NIST
Inp	Outlier 188.30		NIST
Inp	Outlier 190.21		NIST
Inp	1110.00		NIST
Inp	1115.00		NIST
Inp	1148.70		NIST
I	[2028.00; 2084.00]
I	2079.00		NIST
I	2069.00		NIST
I	2068.00		NIST
I	2054.00		NIST
I	2059.00		NIST
I	2050.00		NIST
I	2071.00		NIST
I	Outlier 2028.00		NIST
I	2084.00		NIST
I	2063.00		NIST
I	2068.00		NIST
I	2044.00		NIST
I	2044.00		NIST
I	2079.00		NIST
I	2063.00		NIST
Tboil	[469.20; 482.65]	K
Tboil	477.67	K	KDB
Tboil	Outlier 469.20	K	NIST
Tboil	480.20	K	NIST
Tboil	480.65 ± 3.00	K	NIST
Tboil	480.15 ± 3.00	K	NIST
Tboil	480.15 ± 2.00	K	NIST
Tboil	474.65 ± 3.00	K	NIST
Tboil	478.05 ± 2.00	K	NIST
Tboil	481.15 ± 3.00	K	NIST
Tboil	474.65 ± 4.00	K	NIST
Tboil	479.15 ± 4.00	K	NIST
Tboil	477.65 ± 3.00	K	NIST
Tboil	480.65 ± 3.00	K	NIST
Tboil	478.05 ± 3.00	K	NIST
Tboil	482.65 ± 3.00	K	NIST
Tc	[702.95; 703.00]	K
Tc	703.00	K	KDB
Tc	702.95 ± 0.30	K	NIST
Tfus	[250.15; 414.65]	K
Tfus	291.00	K	KDB
Tfus	261.65	K	Aq. Sol...
Tfus	269.84 ± 0.10	K	NIST
Tfus	255.15 ± 10.00	K	NIST
Tfus	250.15 ± 10.00	K	NIST
Tfus	250.15 ± 10.00	K	NIST
Tfus	255.15 ± 5.00	K	NIST
Tfus	Outlier 414.65	K	NIST
Vc	0.342	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.79; 284.56]	J/mol×K	[489.74; 715.75]
Cp,gas	224.79	J/mol×K	489.74	Joback Calculated Property
Cp,gas	236.73	J/mol×K	527.41	Joback Calculated Property
Cp,gas	247.77	J/mol×K	565.08	Joback Calculated Property
Cp,gas	258.00	J/mol×K	602.74	Joback Calculated Property
Cp,gas	267.49	J/mol×K	640.41	Joback Calculated Property
Cp,gas	276.31	J/mol×K	678.08	Joback Calculated Property
Cp,gas	284.56	J/mol×K	715.75	Joback Calculated Property
η	[0.0000969; 0.0051808]	Pa×s	[318.06; 489.74]
η	0.0051808	Pa×s	318.06	Joback Calculated Property
η	0.0020303	Pa×s	346.67	Joback Calculated Property
η	0.0009178	Pa×s	375.29	Joback Calculated Property
η	0.0004643	Pa×s	403.90	Joback Calculated Property
η	0.0002571	Pa×s	432.51	Joback Calculated Property
η	0.0001531	Pa×s	461.13	Joback Calculated Property
η	0.0000969	Pa×s	489.74	Joback Calculated Property
ΔsubH	80.30 ± 0.50	kJ/mol	297.50	NIST
ΔvapH	[43.10; 63.50]	kJ/mol	[297.50; 457.00]
ΔvapH	63.50	kJ/mol	297.50	NIST
ΔvapH	47.00	kJ/mol	406.50	NIST
ΔvapH	51.40	kJ/mol	406.50	NIST
ΔvapH	49.50	kJ/mol	406.50	NIST
ΔvapH	48.60	kJ/mol	406.50	NIST
ΔvapH	43.10	kJ/mol	406.50	NIST
ΔvapH	51.60	kJ/mol	419.50	NIST
ΔvapH	50.50	kJ/mol	457.00	NIST
ρl	1037.00	kg/m3	273.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[362.14; 505.79]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53904e+01
Coefficient B			-4.35252e+03
Coefficient C			-7.39420e+01
Temperature range, min.			362.14
Temperature range, max.			505.79
Pvap	1.33	kPa	362.14	Calculated Property
Pvap	2.95	kPa	378.10	Calculated Property
Pvap	6.01	kPa	394.06	Calculated Property
Pvap	11.47	kPa	410.02	Calculated Property
Pvap	20.63	kPa	425.98	Calculated Property
Pvap	35.27	kPa	441.95	Calculated Property
Pvap	57.66	kPa	457.91	Calculated Property
Pvap	90.65	kPa	473.87	Calculated Property
Pvap	137.65	kPa	489.83	Calculated Property
Pvap	202.66	kPa	505.79	Calculated Property
Pvap	[0.79; 162.92]	kPa	[350.00; 500.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			-2.29537e+02
Coefficient B			3.61538e+03
Coefficient C			3.82332e+01
Coefficient D			-4.08192e-05
Temperature range, min.			350.00
Temperature range, max.			500.00
Pvap	0.79	kPa	350.00	Calculated Property
Pvap	1.79	kPa	366.67	Calculated Property
Pvap	3.83	kPa	383.33	Calculated Property
Pvap	7.72	kPa	400.00	Calculated Property
Pvap	14.68	kPa	416.67	Calculated Property
Pvap	26.43	kPa	433.33	Calculated Property
Pvap	45.03	kPa	450.00	Calculated Property
Pvap	72.76	kPa	466.67	Calculated Property
Pvap	111.66	kPa	483.33	Calculated Property
Pvap	162.92	kPa	500.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-ethyl-.

Mixtures

• Phenol, 2-ethyl- + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Liquid-Liquid Equilibrium Measurements for Model Systems Related to Catalytic Fast Pyrolysis of Biomass
• Effect of Isomers on Partition Coefficients for Phenolic Compounds in the 1-Butyl-3-methylimidazolium Hexafluorophosphate + Water Two-Phase System
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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