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

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

• 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).
• 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[320.35; 391.23]	J/mol×K	[535.72; 743.58]
Cp,gas	320.35	J/mol×K	535.72	Joback Calculated Property
Cp,gas	334.00	J/mol×K	570.36	Joback Calculated Property
Cp,gas	346.91	J/mol×K	605.01	Joback Calculated Property
Cp,gas	359.08	J/mol×K	639.65	Joback Calculated Property
Cp,gas	370.52	J/mol×K	674.29	Joback Calculated Property
Cp,gas	381.24	J/mol×K	708.94	Joback Calculated Property
Cp,gas	391.23	J/mol×K	743.58	Joback Calculated Property
η	[0.0001633; 0.0026056]	Pa×s	[293.44; 535.72]
η	0.0026056	Pa×s	293.44	Joback Calculated Property
η	0.0012421	Pa×s	333.82	Joback Calculated Property
η	0.0006948	Pa×s	374.20	Joback Calculated Property
η	0.0004352	Pa×s	414.58	Joback Calculated Property
η	0.0002962	Pa×s	454.96	Joback Calculated Property
η	0.0002146	Pa×s	495.34	Joback Calculated Property
η	0.0001633	Pa×s	535.72	Joback Calculated Property
ΔvapH	56.80	kJ/mol	444.00	NIST

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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