Chemical Properties of Phenol, 3-ethyl- (CAS 620-17-7)

InChI

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

InChI Key

HMNKTRSOROOSPP-UHFFFAOYSA-N

Formula

C8H10O

SMILES

CCc1cccc(O)c1

Molecular Weight¹

122.16

CAS

620-17-7

Other Names

• 1-ETHYL-3-HYDROXYBENZENE
• 1-Hydroxy-3-ethylbenzene
• 3-ETHYLPHENOL
• Phenol, m-ethyl-
• m-Ethylphenol

• 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_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_boilr : Boiling point at reduced pressure (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	-4362.90 ± 1.50	kJ/mol	NIST
ΔfG°	-25.73	kJ/mol	Joback Calculated Property
ΔfH°gas	[-146.60; -146.20]	kJ/mol
ΔfH°gas	-146.60	kJ/mol	KDB
ΔfH°gas	-146.20 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-214.30 ± 1.60	kJ/mol	NIST
ΔfusH°	16.30	kJ/mol	Joback Calculated Property
ΔvapH°	[68.10; 68.20]	kJ/mol
ΔvapH°	68.20 ± 0.10	kJ/mol	NIST
ΔvapH°	68.10	kJ/mol	NIST
log10WS	-1.82		Crippen Calculated Property
logPoct/wat	1.955		Crippen Calculated Property
McVol	105.690	ml/mol	McGowan Calculated Property
Pc	4409.10	kPa	Joback Calculated Property
Inp	[190.60; 1195.00]
Inp	1140.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1189.00		NIST
Inp	1160.00		NIST
Inp	1166.00		NIST
Inp	1169.00		NIST
Inp	1142.70		NIST
Inp	1171.00		NIST
Inp	1183.70		NIST
Inp	1175.00		NIST
Inp	1169.00		NIST
Inp	1153.00		NIST
Inp	1167.00		NIST
Inp	1167.00		NIST
Inp	1169.00		NIST
Inp	1138.00		NIST
Inp	1195.00		NIST
Inp	1175.00		NIST
Inp	1176.00		NIST
Inp	1135.00		NIST
Inp	1144.00		NIST
Inp	1130.00		NIST
Inp	1172.00		NIST
Inp	1139.00		NIST
Inp	1138.00		NIST
Inp	1170.00		NIST
Inp	1169.00		NIST
Inp	1146.00		NIST
Inp	1176.00		NIST
Inp	1170.00		NIST
Inp	1147.00		NIST
Inp	1160.00		NIST
Inp	Outlier 197.80		NIST
Inp	Outlier 190.60		NIST
Inp	Outlier 194.60		NIST
Inp	Outlier 196.96		NIST
Inp	Outlier 196.80		NIST
Inp	Outlier 196.96		NIST
Inp	Outlier 196.80		NIST
Inp	1140.00		NIST
Inp	1189.00		NIST
Inp	1183.70		NIST
Inp	1167.00		NIST
I	[2141.00; 2218.00]
I	2195.00		NIST
I	2189.00		NIST
I	2188.00		NIST
I	2189.00		NIST
I	2190.00		NIST
I	2205.00		NIST
I	2168.00		NIST
I	2169.00		NIST
I	2171.00		NIST
I	2210.00		NIST
I	2170.00		NIST
I	2167.00		NIST
I	2171.00		NIST
I	2194.00		NIST
I	2194.00		NIST
I	2181.00		NIST
I	2191.00		NIST
I	2150.00		NIST
I	2170.00		NIST
I	Outlier 2141.00		NIST
I	2151.00		NIST
I	2218.00		NIST
I	2195.00		NIST
I	2190.00		NIST
Tboil	491.57	K	KDB
Tc	[716.45; 718.80]	K
Tc	718.80	K	KDB
Tc	716.45 ± 0.15	K	NIST
Tfus	[268.65; 269.15]	K
Tfus	269.00	K	KDB
Tfus	269.15 ± 2.00	K	NIST
Tfus	269.15 ± 2.00	K	NIST
Tfus	Outlier 268.65 ± 1.00	K	NIST
Tfus	269.15 ± 2.00	K	NIST
Tfus	269.15 ± 2.00	K	NIST
Tfus	269.15 ± 2.00	K	NIST
Tfus	269.15 ± 2.00	K	NIST
Tfus	269.15 ± 2.00	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
ΔvapH	[48.80; 68.10]	kJ/mol	[300.00; 474.00]
ΔvapH	68.10	kJ/mol	300.00	NIST
ΔvapH	48.80	kJ/mol	417.50	NIST
ΔvapH	58.30	kJ/mol	417.50	NIST
ΔvapH	56.50	kJ/mol	417.50	NIST
ΔvapH	55.20	kJ/mol	417.50	NIST
ΔvapH	53.70	kJ/mol	417.50	NIST
ΔvapH	53.10	kJ/mol	474.00	NIST
ρl	1025.00	kg/m3	273.00	KDB

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[373.26; 516.51]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56730e+01
Coefficient B			-4.54561e+03
Coefficient C			-7.78060e+01
Temperature range, min.			373.26
Temperature range, max.			516.51
Pvap	1.33	kPa	373.26	Calculated Property
Pvap	2.93	kPa	389.18	Calculated Property
Pvap	5.96	kPa	405.09	Calculated Property
Pvap	11.34	kPa	421.01	Calculated Property
Pvap	20.40	kPa	436.93	Calculated Property
Pvap	34.90	kPa	452.84	Calculated Property
Pvap	57.17	kPa	468.76	Calculated Property
Pvap	90.10	kPa	484.68	Calculated Property
Pvap	137.20	kPa	500.59	Calculated Property
Pvap	202.66	kPa	516.51	Calculated Property
Pvap	[1.14; 133.47]	kPa	[370.00; 502.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.13752e+02
Coefficient B			-1.18918e+04
Coefficient C			-1.38880e+01
Coefficient D			4.72667e-06
Temperature range, min.			370.00
Temperature range, max.			502.15
Pvap	1.14	kPa	370.00	Calculated Property
Pvap	2.39	kPa	384.68	Calculated Property
Pvap	4.67	kPa	399.37	Calculated Property
Pvap	8.61	kPa	414.05	Calculated Property
Pvap	15.04	kPa	428.73	Calculated Property
Pvap	25.08	kPa	443.42	Calculated Property
Pvap	40.12	kPa	458.10	Calculated Property
Pvap	61.84	kPa	472.78	Calculated Property
Pvap	92.20	kPa	487.47	Calculated Property
Pvap	133.47	kPa	502.15	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 3-ethyl-.

Mixtures

• Phenol, 3-ethyl- + Water
• Toluene + Phenol, 3-ethyl- + Water

Sources

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

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