Chemical Properties of Ethanol, 2-phenoxy-, acetate (CAS 6192-44-5)

InChI

InChI=1S/C10H12O3/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChI Key

WHFKYDMBUMLWDA-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

CC(=O)OCCOc1ccccc1

Molecular Weight¹

180.20

CAS

6192-44-5

Other Names

• Acetic acid «beta»-phenoxyethyl ester
• Ethylene glycol phenyl ether acetate
• Phenoxyethyl acetate
• 2-Phenoxyethanol acetate
• 2-Phenoxyethyl acetate
• Acetic acid 2-phenoxyethyl ester
• 2-Phenoxyethylester kyseliny octove

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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	0.5660		Relay (1.0) Calculated Property
ΔfH°gas	-446.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.25	kJ/mol	Joback Calculated Property
ΔvapH°	76.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-1.93		Relay (1.0) Calculated Property
logPoct/wat	1.629		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Pc	2893.62	kPa	Joback Calculated Property
Inp	[1344.00; 1427.00]
Inp	1427.00		NIST
Inp	1344.00		NIST
Tboil	529.63	K	Relay (1.0) Calculated Property
Tc	727.42	K	Relay (1.0) Calculated Property
Tfus	288.68	K	Relay (1.0) Calculated Property

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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.10; 443.32]	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			1.08020e+01
Coefficient B			7.56920e-01
Coefficient C			-3.45800e-04
Coefficient D			2.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.10	J/mol×K	273.00	Calculated Property
Cp,gas	236.25	J/mol×K	353.78	Calculated Property
Cp,gas	276.18	J/mol×K	434.56	Calculated Property
Cp,gas	311.96	J/mol×K	515.33	Calculated Property
Cp,gas	343.66	J/mol×K	596.11	Calculated Property
Cp,gas	371.35	J/mol×K	676.89	Calculated Property
Cp,gas	395.09	J/mol×K	757.67	Calculated Property
Cp,gas	414.96	J/mol×K	838.44	Calculated Property
Cp,gas	431.01	J/mol×K	919.22	Calculated Property
Cp,gas	443.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026056; 0.0001801]	Pa×s	[293.44; 520.51]	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			-1.20749e+01
Coefficient B			1.79727e+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.			293.44
Temperature range, max.			520.51
η	0.0026056	Pa×s	293.44	Calculated Property
η	0.0016044	Pa×s	318.67	Calculated Property
η	0.0010608	Pa×s	343.90	Calculated Property
η	0.0007421	Pa×s	369.13	Calculated Property
η	0.0005435	Pa×s	394.36	Calculated Property
η	0.0004132	Pa×s	419.59	Calculated Property
η	0.0003241	Pa×s	444.82	Calculated Property
η	0.0002609	Pa×s	470.05	Calculated Property
η	0.0002147	Pa×s	495.28	Calculated Property
η	0.0001801	Pa×s	520.51	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.58]	kPa	[355.80; 532.90]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.72824e+01
Coefficient B			-6.54202e+03
Coefficient C			-1.66210e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			355.80
Temperature range, max.			532.90
Pvap	0.13	kPa	355.80	Calculated Property
Pvap	0.39	kPa	375.48	Calculated Property
Pvap	1.00	kPa	395.16	Calculated Property
Pvap	2.35	kPa	414.83	Calculated Property
Pvap	5.09	kPa	434.51	Calculated Property
Pvap	10.29	kPa	454.19	Calculated Property
Pvap	19.59	kPa	473.87	Calculated Property
Pvap	35.35	kPa	493.54	Calculated Property
Pvap	60.87	kPa	513.22	Calculated Property
Pvap	100.58	kPa	532.90	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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