Chemical Properties of Ethanol, 2-phenoxy- (CAS 122-99-6)

InChI

InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChI Key

QCDWFXQBSFUVSP-UHFFFAOYSA-N

Formula

C8H10O2

SMILES

OCCOc1ccccc1

Molecular Weight¹

138.16

CAS

122-99-6

Other Names

• .beta.-phenoxyethyl alcohol
• 1-Hydroxy-2-phenoxyethane
• 2-Fenoxyethanol
• 2-Phenoxyethanol (rose ether)
• 2-hydroxyethyl phenyl ether
• 2-phenoxyethanol
• 2-phenoxyethyl alcohol
• Arosol
• Dowanol EP
• Dowanol eph
• Emeressence 1160
• Emery 6705
• Ethylene glycol phenyl ether
• Fenyl-cellosolve
• Fenylcelosolv
• Glycol monophenyl ether
• NSC 1864
• Phenoxethol
• Phenoxetol
• Phenoxyethanol
• Phenoxyethyl alcohol
• Phenoxyl ethanol
• Phenoxytol
• Phenyl cellosolve
• Phenylmonoglycol ether
• Rose ether
• ethylene glycol monophenyl ether
• «beta»-Hydroxyethyl phenyl ether
• «beta»-Phenoxyethanol
• «beta»-Phenoxyethyl alcohol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• T_flash,cc : Flash Point (Closed Cup Method) (K).
• 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).
• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6666		Relay (1.0) Calculated Property
Tflash,cc	394.15	K	NCMS SOLV-DB
ΔfH°gas	-261.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.79	kJ/mol	Joback Calculated Property
ΔvapH°	52.13	kJ/mol	NCMS SOLV-DB
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	[-0.70; -0.70]
log10WS	-0.70		Aq. Solubility Prediction
log10WS	-0.70		Estimated Solubility
logPoct/wat	1.160		NCMS SOLV-DB
McVol	111.560	ml/mol	McGowan Calculated Property
NFPA Fire	1		NCMS SOLV-DB
NFPA Health	0		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	4005.77	kPa	Joback Calculated Property
Inp	[1185.00; 1245.30]
Inp	1210.00		NIST
Inp	1214.00		NIST
Inp	1191.60		NIST
Inp	1186.00		NIST
Inp	1221.00		NIST
Inp	1223.00		NIST
Inp	1226.00		NIST
Inp	1245.30		NIST
Inp	1229.00		NIST
Inp	1221.00		NIST
Inp	1194.00		NIST
Inp	1220.00		NIST
Inp	1213.00		NIST
Inp	1226.00		NIST
Inp	1226.00		NIST
Inp	1189.00		NIST
Inp	1185.00		NIST
Inp	1221.00		NIST
Inp	1220.00		NIST
Inp	1185.00		NIST
Inp	1191.60		NIST
I	[2080.00; 2144.00]
I	2103.00		NIST
I	2087.00		NIST
I	2144.00		NIST
I	2126.00		NIST
I	2142.00		NIST
I	2107.00		NIST
I	2080.00		NIST
I	2115.00		NIST
I	2100.00		NIST
I	2139.00		NIST
I	2103.00		NIST
I	2115.00		NIST
Tboil	[510.20; 518.35]	K
Tboil	518.35	K	NCMS SOLV-DB
Tboil	510.20	K	NIST
Tboil	518.20	K	NIST
Tc	749.40	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tfus	[285.90; 287.15]	K
Tfus	285.90	K	Aq. Solubility Prediction
Tfus	287.15	K	NCMS SOLV-DB

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	294.63	J/mol×K	298.15	NIST
η	0.0203200	Pa×s	298.15	NCMS SOLV-DB
ΔvapH	66.00	kJ/mol	435.00	NIST
Pvap	4.00e-03	kPa	293.15	NCMS SOLV-DB
n0	1.53400		298.15	NCMS SOLV-DB
ρl	[1081.00; 1107.00]	kg/m3	[293.15; 323.15]
ρl	1107.00	kg/m3	293.15	Density, speed of sound and refractive index of mixtures containing 2-phenoxyethanol with propanol or butanol at various temperatures
ρl	1103.00	kg/m3	298.15	Density, speed of sound and refractive index of mixtures containing 2-phenoxyethanol with propanol or butanol at various temperatures
ρl	1103.41	kg/m3	298.15	THERMODYNAMICS OF MIXTURES CONTAINING ALKOXYETHANOLS. XXVIII. LIQUID-LIQUID EQUILIBRIA FOR 2-PHENOXYETHANOL + SELECTED ALKANES
ρl	1099.00	kg/m3	303.15	Density, speed of sound and refractive index of mixtures containing 2-phenoxyethanol with propanol or butanol at various temperatures
ρl	1090.00	kg/m3	313.15	Density, speed of sound and refractive index of mixtures containing 2-phenoxyethanol with propanol or butanol at various temperatures
ρl	1081.00	kg/m3	323.15	Density, speed of sound and refractive index of mixtures containing 2-phenoxyethanol with propanol or butanol at various temperatures
γ	0.04	N/m	298.15	NCMS SOLV-DB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.84; 350.70]	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			-7.49800e+00
Coefficient B			6.55700e-01
Coefficient C			-3.62000e-04
Coefficient D			6.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.84	J/mol×K	273.00	Calculated Property
Cp,gas	182.02	J/mol×K	353.78	Calculated Property
Cp,gas	214.37	J/mol×K	434.56	Calculated Property
Cp,gas	243.10	J/mol×K	515.33	Calculated Property
Cp,gas	268.40	J/mol×K	596.11	Calculated Property
Cp,gas	290.48	J/mol×K	676.89	Calculated Property
Cp,gas	309.55	J/mol×K	757.67	Calculated Property
Cp,gas	325.81	J/mol×K	838.44	Calculated Property
Cp,gas	339.46	J/mol×K	919.22	Calculated Property
Cp,gas	350.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[394.33; 547.68]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55600e+01
Coefficient B			-4.77760e+03
Coefficient C			-8.15080e+01
Temperature range, min.			394.33
Temperature range, max.			547.68
Pvap	1.33	kPa	394.33	Calculated Property
Pvap	2.93	kPa	411.37	Calculated Property
Pvap	5.98	kPa	428.41	Calculated Property
Pvap	11.39	kPa	445.45	Calculated Property
Pvap	20.48	kPa	462.49	Calculated Property
Pvap	35.04	kPa	479.52	Calculated Property
Pvap	57.36	kPa	496.56	Calculated Property
Pvap	90.30	kPa	513.60	Calculated Property
Pvap	137.37	kPa	530.64	Calculated Property
Pvap	202.65	kPa	547.68	Calculated Property
Pvap	[0.13; 102.34]	kPa	[351.00; 518.50]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64338e+01
Coefficient B			-5.47865e+03
Coefficient C			-5.44240e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			351.00
Temperature range, max.			518.50
Pvap	0.13	kPa	351.00	Calculated Property
Pvap	0.39	kPa	369.61	Calculated Property
Pvap	1.02	kPa	388.22	Calculated Property
Pvap	2.43	kPa	406.83	Calculated Property
Pvap	5.30	kPa	425.44	Calculated Property
Pvap	10.73	kPa	444.06	Calculated Property
Pvap	20.36	kPa	462.67	Calculated Property
Pvap	36.56	kPa	481.28	Calculated Property
Pvap	62.49	kPa	499.89	Calculated Property
Pvap	102.34	kPa	518.50	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-phenoxy-.

Mixtures

• Ethanol, 2-phenoxy- + Heptane
• Ethanol, 2-phenoxy- + Octane
• Ethanol, 2-phenoxy- + Cyclohexane
• Ethanol, 2-phenoxy- + Cyclohexane, methyl-
• Cyclohexane, ethyl- + Ethanol, 2-phenoxy-
• 1-Propanol + Ethanol, 2-phenoxy-
• 2-Propanol + Ethanol, 2-phenoxy-
• Ethanol, 2-phenoxy- + 1-Butanol

Sources

• Cheméo Relay (1.0)
• Density, speed of sound and refractive index of mixtures containing 2-phenoxyethanol with propanol or butanol at various temperatures
• THERMODYNAMICS OF MIXTURES CONTAINING ALKOXYETHANOLS. XXVIII. LIQUID-LIQUID EQUILIBRIA FOR 2-PHENOXYETHANOL + SELECTED ALKANES
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure

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