Chemical Properties of Phenol, 4-ethyl- (CAS 123-07-9)

InChI

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

InChI Key

HXDOZKJGKXYMEW-UHFFFAOYSA-N

Formula

C8H10O

SMILES

CCc1ccc(O)cc1

Molecular Weight¹

122.16

CAS

123-07-9

Other Names

• 1-ETHYL-4-HYDROXYBENZENE
• 1-Hydroxy-4-ethylbenzene
• 4-ETHYLPHENOL
• 4-hydroxyphenylethane
• Paraethylphenol
• Phenol, p-ethyl-
• p-Ethylphenol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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°_solid : Solid 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 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).
• 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.
• 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°solid	-4352.82 ± 0.92	kJ/mol	NIST
ΔfG°	-25.73	kJ/mol	Joback Calculated Property
ΔfH°gas	[-144.70; -144.30]	kJ/mol
ΔfH°gas	-144.70	kJ/mol	KDB
ΔfH°gas	-144.30 ± 1.10	kJ/mol	NIST
ΔfH°solid	-224.40 ± 1.00	kJ/mol	NIST
ΔfusH°	16.30	kJ/mol	Joback Calculated Property
ΔsubH°	[80.10; 80.30]	kJ/mol
ΔsubH°	80.30 ± 0.10	kJ/mol	NIST
ΔsubH°	80.10	kJ/mol	NIST
ΔvapH°	48.69	kJ/mol	Joback Calculated Property
IE	7.84	eV	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	[191.20; 1193.00]
Inp	1142.00		NIST
Inp	1142.00		NIST
Inp	1162.00		NIST
Inp	1166.00		NIST
Inp	1136.00		NIST
Inp	1163.00		NIST
Inp	1145.00		NIST
Inp	1168.00		NIST
Inp	1165.80		NIST
Inp	1167.20		NIST
Inp	1168.50		NIST
Inp	1161.00		NIST
Inp	1153.00		NIST
Inp	1168.00		NIST
Inp	1193.00		NIST
Inp	1171.00		NIST
Inp	1161.00		NIST
Inp	1170.00		NIST
Inp	1136.00		NIST
Inp	1130.00		NIST
Inp	1141.00		NIST
Inp	1181.00		NIST
Inp	1192.00		NIST
Inp	1178.00		NIST
Inp	1137.00		NIST
Inp	1171.00		NIST
Inp	1133.00		NIST
Inp	1141.00		NIST
Inp	1169.00		NIST
Inp	1170.00		NIST
Inp	1188.00		NIST
Inp	1137.00		NIST
Inp	1142.00		NIST
Inp	1141.00		NIST
Inp	1169.00		NIST
Inp	1171.00		NIST
Inp	1178.00		NIST
Inp	1184.00		NIST
Inp	1168.00		NIST
Inp	1169.00		NIST
Inp	1178.00		NIST
Inp	1136.00		NIST
Inp	1166.00		NIST
Inp	1168.00		NIST
Inp	1165.00		NIST
Inp	1178.00		NIST
Inp	1168.00		NIST
Inp	1168.00		NIST
Inp	1168.00		NIST
Inp	1145.00		NIST
Inp	1162.00		NIST
Inp	1162.00		NIST
Inp	Outlier 191.20		NIST
Inp	Outlier 195.91		NIST
Inp	Outlier 194.50		NIST
Inp	Outlier 196.28		NIST
Inp	1162.00		NIST
Inp	1168.00		NIST
Inp	1136.00		NIST
Inp	1178.00		NIST
Inp	1169.00		NIST
Inp	1141.00		NIST
Inp	1166.00		NIST
Inp	1165.00		NIST
Inp	1145.00		NIST
Inp	Outlier 191.20		NIST
Inp	1142.00		NIST
Inp	1165.80		NIST
I	[2142.00; 2214.00]
I	2183.00		NIST
I	2195.00		NIST
I	2210.00		NIST
I	2195.00		NIST
I	2174.00		NIST
I	2190.00		NIST
I	2182.00		NIST
I	2185.00		NIST
I	2183.00		NIST
I	2164.00		NIST
I	2183.00		NIST
I	2167.00		NIST
I	2195.00		NIST
I	2153.00		NIST
I	2198.00		NIST
I	2207.00		NIST
I	2209.00		NIST
I	2161.00		NIST
I	2202.00		NIST
I	2167.00		NIST
I	2201.00		NIST
I	2165.00		NIST
I	2181.00		NIST
I	2185.00		NIST
I	2188.00		NIST
I	Outlier 2143.00		NIST
I	2186.00		NIST
I	2205.00		NIST
I	2209.00		NIST
I	2195.00		NIST
I	2214.00		NIST
I	2209.00		NIST
I	2207.00		NIST
I	2208.00		NIST
I	2195.00		NIST
I	2180.00		NIST
I	2195.00		NIST
I	Outlier 2142.00		NIST
I	2193.00		NIST
I	2188.00		NIST
I	2160.00		NIST
I	2185.00		NIST
I	2204.00		NIST
I	2185.00		NIST
I	2198.00		NIST
I	2190.00		NIST
I	2152.00		NIST
I	2153.00		NIST
I	2157.00		NIST
I	2175.00		NIST
I	2172.00		NIST
I	2172.00		NIST
I	2208.00		NIST
I	2150.00		NIST
I	2196.00		NIST
I	2206.00		NIST
I	2214.00		NIST
I	2181.00		NIST
I	2212.00		NIST
I	2195.00		NIST
I	2185.00		NIST
I	2152.00		NIST
I	2172.00		NIST
I	2214.00		NIST
I	2207.00		NIST
I	2201.00		NIST
I	Outlier 2143.00		NIST
I	2180.00		NIST
I	2160.00		NIST
I	2183.00		NIST
I	2190.00		NIST
Tboil	[484.15; 492.45]	K
Tboil	491.13	K	KDB
Tboil	492.20	K	NIST
Tboil	492.15 ± 2.00	K	NIST
Tboil	492.15 ± 2.00	K	NIST
Tboil	492.15 ± 2.00	K	NIST
Tboil	491.35 ± 2.00	K	NIST
Tboil	491.35 ± 2.00	K	NIST
Tboil	492.15 ± 3.00	K	NIST
Tboil	492.45 ± 3.00	K	NIST
Tboil	486.65 ± 4.00	K	NIST
Tboil	492.00 ± 0.60	K	NIST
Tboil	Outlier 484.15 ± 3.00	K	NIST
Tboil	490.15 ± 3.00	K	NIST
Tboil	491.15 ± 3.00	K	NIST
Tboil	490.40 ± 2.00	K	NIST
Tboil	488.65 ± 3.00	K	NIST
Tboil	486.65 ± 3.00	K	NIST
Tboil	487.65 ± 4.00	K	NIST
Tc	[716.40; 716.45]	K
Tc	716.40	K	KDB
Tc	716.45 ± 0.80	K	NIST
Tfus	[317.65; 320.15]	K
Tfus	318.23	K	KDB
Tfus	318.21 ± 0.05	K	NIST
Tfus	317.95 ± 2.00	K	NIST
Tfus	317.65 ± 2.00	K	NIST
Tfus	318.15 ± 2.00	K	NIST
Tfus	318.15 ± 2.00	K	NIST
Tfus	318.15 ± 2.00	K	NIST
Tfus	319.65 ± 1.00	K	NIST
Tfus	Outlier 320.15 ± 1.00	K	NIST
Tfus	318.65 ± 2.00	K	NIST
Tfus	318.15 ± 2.00	K	NIST
Tfus	318.65 ± 2.00	K	NIST
Tfus	318.65 ± 2.00	K	NIST
Tfus	318.65 ± 2.00	K	NIST
Tfus	319.15 ± 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]
T(K) Ideal gas heat capacity (J/mol×K) 220 230 240 250 260 270 280 290 500 600 700
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
Cp,solid	206.90	J/mol×K	298.15	NIST
η	[0.0000969; 0.0051808]	Pa×s	[318.06; 489.74]
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 350 400 450
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	[47.60; 56.50]	kJ/mol	[420.00; 473.50]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 48 50 52 54 56 420 440 460
ΔvapH	56.50	kJ/mol	420.00	NIST
ΔvapH	54.70	kJ/mol	420.00	NIST
ΔvapH	53.80	kJ/mol	420.00	NIST
ΔvapH	51.30	kJ/mol	420.00	NIST
ΔvapH	47.60	kJ/mol	420.00	NIST
ΔvapH	53.20	kJ/mol	473.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[372.91; 517.95]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55378e+01
Coefficient B			-4.50225e+03
Coefficient C			-7.76870e+01
Temperature range, min.			372.91
Temperature range, max.			517.95
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500
Pvap	1.33	kPa	372.91	Calculated Property
Pvap	2.94	kPa	389.03	Calculated Property
Pvap	5.98	kPa	405.14	Calculated Property
Pvap	11.40	kPa	421.26	Calculated Property
Pvap	20.50	kPa	437.37	Calculated Property
Pvap	35.07	kPa	453.49	Calculated Property
Pvap	57.40	kPa	469.60	Calculated Property
Pvap	90.36	kPa	485.72	Calculated Property
Pvap	137.42	kPa	501.83	Calculated Property
Pvap	202.67	kPa	517.95	Calculated Property
Pvap	[0.05; 3951.38]	kPa	[318.23; 716.45]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.91252e+00
Coefficient B			-6.88694e+03
Coefficient C			1.59162e+00
Coefficient D			-4.83517e-06
Temperature range, min.			318.23
Temperature range, max.			716.45
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 4000 400 500 600 700
Pvap	0.05	kPa	318.23	Calculated Property
Pvap	0.71	kPa	362.48	Calculated Property
Pvap	5.71	kPa	406.72	Calculated Property
Pvap	29.51	kPa	450.97	Calculated Property
Pvap	109.49	kPa	495.22	Calculated Property
Pvap	314.60	kPa	539.46	Calculated Property
Pvap	738.18	kPa	583.71	Calculated Property
Pvap	1469.39	kPa	627.96	Calculated Property
Pvap	2552.21	kPa	672.20	Calculated Property
Pvap	3951.38	kPa	716.45	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-ethyl-.

Mixtures

• Phenol, 4-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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