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
• o-Hydroxyethylbenzene
• o-ethylphenol
• phenol, o-ethyl-

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.5011		Relay (1.0) Calculated Property
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
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-1.36		Aq. Solubility Prediction
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	2063.00		NIST
I	2079.00		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. Solubility Prediction
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	0.359	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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	51.40	kJ/mol	406.50	NIST
ΔvapH	49.50	kJ/mol	406.50	NIST
ΔvapH	48.60	kJ/mol	406.50	NIST
ΔvapH	47.00	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
Cp,gas	[134.82; 335.95]	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			-4.72090e+01
Coefficient B			8.39520e-01
Coefficient C			-6.98960e-04
Coefficient D			2.42600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.82	J/mol×K	273.00	Calculated Property
Cp,gas	173.06	J/mol×K	353.78	Calculated Property
Cp,gas	205.53	J/mol×K	434.56	Calculated Property
Cp,gas	233.00	J/mol×K	515.33	Calculated Property
Cp,gas	256.25	J/mol×K	596.11	Calculated Property
Cp,gas	276.04	J/mol×K	676.89	Calculated Property
Cp,gas	293.14	J/mol×K	757.67	Calculated Property
Cp,gas	308.31	J/mol×K	838.44	Calculated Property
Cp,gas	322.33	J/mol×K	919.22	Calculated Property
Cp,gas	335.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0591635; 0.0000936]	Pa×s	[261.87; 492.08]	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			-1.66126e+01
Coefficient B			3.60992e+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.			261.87
Temperature range, max.			492.08
η	0.0591635	Pa×s	261.87	Calculated Property
η	0.0173503	Pa×s	287.45	Calculated Property
η	0.0062176	Pa×s	313.03	Calculated Property
η	0.0026018	Pa×s	338.61	Calculated Property
η	0.0012305	Pa×s	364.19	Calculated Property
η	0.0006420	Pa×s	389.77	Calculated Property
η	0.0003630	Pa×s	415.35	Calculated Property
η	0.0002192	Pa×s	440.92	Calculated Property
η	0.0001399	Pa×s	466.50	Calculated Property
η	0.0000936	Pa×s	492.08	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[362.14; 505.79]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			-2.29537e+02
Coefficient B			3.61538e+03
Coefficient C			3.82332e+01
Coefficient D			-4.08192e-05
Coefficient E			0.00000e+00
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
Pvap	[20.46; 141.02]	kPa	[423.57; 491.19]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41212e+01
Coefficient B			-3.56727e+03
Coefficient C			-1.02272e+02
Reference			Biddiscombe, Handley, et al., 1963, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			423.57
Temperature range, max.			491.19
Pvap	20.46	kPa	423.57	Calculated Property
Pvap	26.37	kPa	431.08	Calculated Property
Pvap	33.60	kPa	438.60	Calculated Property
Pvap	42.36	kPa	446.11	Calculated Property
Pvap	52.89	kPa	453.62	Calculated Property
Pvap	65.41	kPa	461.14	Calculated Property
Pvap	80.20	kPa	468.65	Calculated Property
Pvap	97.54	kPa	476.16	Calculated Property
Pvap	117.70	kPa	483.68	Calculated Property
Pvap	141.02	kPa	491.19	Calculated Property
Pvap	[1.31; 101.33]	kPa	[359.00; 480.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68621e+01
Coefficient B			-5.68608e+03
Coefficient C			-1.62920e+01
Reference			von Terres, Gebert, et al., 1955, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			359.00
Temperature range, max.			480.70
Pvap	1.31	kPa	359.00	Calculated Property
Pvap	2.46	kPa	372.52	Calculated Property
Pvap	4.41	kPa	386.04	Calculated Property
Pvap	7.59	kPa	399.57	Calculated Property
Pvap	12.58	kPa	413.09	Calculated Property
Pvap	20.17	kPa	426.61	Calculated Property
Pvap	31.39	kPa	440.13	Calculated Property
Pvap	47.53	kPa	453.66	Calculated Property
Pvap	70.19	kPa	467.18	Calculated Property
Pvap	101.33	kPa	480.70	Calculated Property
Pvap	[20.46; 141.02]	kPa	[423.57; 491.19]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41212e+01
Coefficient B			-3.56727e+03
Coefficient C			-1.02272e+02
Reference			Biddiscombe, Handley, et al., 1963
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			423.57
Temperature range, max.			491.19
Pvap	20.46	kPa	423.57	Calculated Property
Pvap	26.37	kPa	431.08	Calculated Property
Pvap	33.60	kPa	438.60	Calculated Property
Pvap	42.36	kPa	446.11	Calculated Property
Pvap	52.89	kPa	453.62	Calculated Property
Pvap	65.41	kPa	461.14	Calculated Property
Pvap	80.20	kPa	468.65	Calculated Property
Pvap	97.54	kPa	476.16	Calculated Property
Pvap	117.70	kPa	483.68	Calculated Property
Pvap	141.02	kPa	491.19	Calculated Property
Pvap	[1.31; 101.33]	kPa	[359.00; 480.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68621e+01
Coefficient B			-5.68608e+03
Coefficient C			-1.62920e+01
Reference			von Terres, Gebert, et al., 1955
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			359.00
Temperature range, max.			480.70
Pvap	1.31	kPa	359.00	Calculated Property
Pvap	2.46	kPa	372.52	Calculated Property
Pvap	4.41	kPa	386.04	Calculated Property
Pvap	7.59	kPa	399.57	Calculated Property
Pvap	12.58	kPa	413.09	Calculated Property
Pvap	20.17	kPa	426.61	Calculated Property
Pvap	31.39	kPa	440.13	Calculated Property
Pvap	47.53	kPa	453.66	Calculated Property
Pvap	70.19	kPa	467.18	Calculated Property
Pvap	101.33	kPa	480.70	Calculated Property

Similar Compounds

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

Mixtures

• Phenol, 2-ethyl- + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• 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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