Chemical Properties of PHENYLACETIC ACID PROPYL ESTER

InChI

InChI=1S/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChI Key

GXXFZZLGPFNITM-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CCCOC(=O)Cc1ccccc1

Molecular Weight¹

178.23

Other Names

• Benzeneacetic acid, propyl ester
• Acetic acid, phenyl-, propyl ester
• Propyl benzeneacetate
• Propyl phenylacetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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.
• 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
ω	0.5291		Relay (1.0) Calculated Property
ΔfG°	-156.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-342.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.66	kJ/mol	Joback Calculated Property
ΔvapH°	61.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-2.52		Relay (1.0) Calculated Property
logPoct/wat	2.182		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Pc	2662.52	kPa	Joback Calculated Property
Inp	[1300.00; 1331.02]
Inp	1309.25		NIST
Inp	1331.02		NIST
Inp	1325.00		NIST
Inp	1300.00		NIST
Inp	1309.25		NIST
I	[1848.00; 1848.00]
I	1848.00		NIST
I	1848.00		NIST
Tboil	520.17	K	Relay (1.0) Calculated Property
Tc	721.88	K	Relay (1.0) Calculated Property
Tfus	243.01	K	Relay (1.0) Calculated Property
Vc	0.552	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.68; 418.22]	J/mol×K	[536.18; 742.88]
Cp,gas	341.68	J/mol×K	536.18	Joback Calculated Property
Cp,gas	356.50	J/mol×K	570.63	Joback Calculated Property
Cp,gas	370.47	J/mol×K	605.08	Joback Calculated Property
Cp,gas	383.60	J/mol×K	639.53	Joback Calculated Property
Cp,gas	395.93	J/mol×K	673.98	Joback Calculated Property
Cp,gas	407.46	J/mol×K	708.43	Joback Calculated Property
Cp,gas	418.22	J/mol×K	742.88	Joback Calculated Property
η	[0.0001843; 0.0035695]	Pa×s	[282.48; 536.18]
η	0.0035695	Pa×s	282.48	Joback Calculated Property
η	0.0015792	Pa×s	324.76	Joback Calculated Property
η	0.0008431	Pa×s	367.05	Joback Calculated Property
η	0.0005124	Pa×s	409.33	Joback Calculated Property
η	0.0003419	Pa×s	451.61	Joback Calculated Property
η	0.0002444	Pa×s	493.90	Joback Calculated Property
η	0.0001843	Pa×s	536.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to PHENYLACETIC ACID PROPYL ESTER.

Sources

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

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