Chemical Properties of Phenylethyl salicylate (CAS 87-22-9)

InChI

InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2

InChI Key

YNMSDIQQNIRGDP-UHFFFAOYSA-N

Formula

C15H14O3

SMILES

O=C(OCCc1ccccc1)c1ccccc1O

Molecular Weight¹

242.27

CAS

87-22-9

Other Names

• «beta»-Phenylethyl salicylate
• Benzoic acid, 2-hydroxy-, 2-phenylethyl ester
• Benzylcarbinyl salicylate
• Phenethyl salicylate
• Phenylethyl salicyalte
• Salicylic acid, phenethyl ester
• 2-Phenylethyl salicylate

• 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).
• 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
ΔfH°gas	-363.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.84	kJ/mol	Joback Calculated Property
ΔvapH°	95.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-3.80		Relay (1.0) Calculated Property
logPoct/wat	2.792		Crippen Calculated Property
McVol	188.000	ml/mol	McGowan Calculated Property
Pc	2947.28	kPa	Joback Calculated Property
Inp	[1930.00; 1987.00]
Inp	1934.00		NIST
Inp	1987.00		NIST
Inp	1930.00		NIST
Inp	1966.00		NIST
Inp	1966.00		NIST
Inp	1934.00		NIST
Tboil	609.00	K	Relay (1.0) Calculated Property
Tc	894.66	K	Relay (1.0) Calculated Property
Tfus	286.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[513.26; 581.81]	J/mol×K	[735.00; 978.28]
Cp,gas	513.26	J/mol×K	735.00	Joback Calculated Property
Cp,gas	527.02	J/mol×K	775.55	Joback Calculated Property
Cp,gas	539.69	J/mol×K	816.09	Joback Calculated Property
Cp,gas	551.38	J/mol×K	856.64	Joback Calculated Property
Cp,gas	562.22	J/mol×K	897.18	Joback Calculated Property
Cp,gas	572.32	J/mol×K	937.73	Joback Calculated Property
Cp,gas	581.81	J/mol×K	978.28	Joback Calculated Property
η	[0.0000093; 0.0003721]	Pa×s	[465.70; 735.00]
η	0.0003721	Pa×s	465.70	Joback Calculated Property
η	0.0001535	Pa×s	510.58	Joback Calculated Property
η	0.0000730	Pa×s	555.47	Joback Calculated Property
η	0.0000388	Pa×s	600.35	Joback Calculated Property
η	0.0000225	Pa×s	645.23	Joback Calculated Property
η	0.0000141	Pa×s	690.12	Joback Calculated Property
η	0.0000093	Pa×s	735.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenylethyl salicylate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.