Chemical Properties of Propionic acid, 2-propylphenyl ester

InChI

InChI=1S/C12H16O2/c1-3-7-10-8-5-6-9-11(10)14-12(13)4-2/h5-6,8-9H,3-4,7H2,1-2H3

InChI Key

OYEWJLFZKKNYFL-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CCCc1ccccc1OC(=O)CC

Molecular Weight¹

192.26

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6041		Relay (1.0) Calculated Property
ΔfusH°	24.86	kJ/mol	Joback Calculated Property
ΔvapH°	64.62	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.954		Crippen Calculated Property
McVol	163.620	ml/mol	McGowan Calculated Property
Pc	2381.86	kPa	Joback Calculated Property
Inp	[1394.00; 1394.00]
Inp	1394.00		NIST
Inp	1394.00		NIST
Tboil	517.66	K	Relay (1.0) Calculated Property
Tc	733.35	K	Relay (1.0) Calculated Property
Tfus	255.69	K	Relay (1.0) Calculated Property
Vc	0.606	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l 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	[388.85; 468.04]	J/mol×K	[564.04; 768.65]
Cp,gas	388.85	J/mol×K	564.04	Joback Calculated Property
Cp,gas	404.10	J/mol×K	598.14	Joback Calculated Property
Cp,gas	418.51	J/mol×K	632.24	Joback Calculated Property
Cp,gas	432.09	J/mol×K	666.35	Joback Calculated Property
Cp,gas	444.86	J/mol×K	700.45	Joback Calculated Property
Cp,gas	456.84	J/mol×K	734.55	Joback Calculated Property
Cp,gas	468.04	J/mol×K	768.65	Joback Calculated Property
η	[0.0001641; 0.0024516]	Pa×s	[306.27; 564.04]
η	0.0024516	Pa×s	306.27	Joback Calculated Property
η	0.0011839	Pa×s	349.23	Joback Calculated Property
η	0.0006706	Pa×s	392.19	Joback Calculated Property
η	0.0004249	Pa×s	435.15	Joback Calculated Property
η	0.0002923	Pa×s	478.12	Joback Calculated Property
η	0.0002138	Pa×s	521.08	Joback Calculated Property
η	0.0001641	Pa×s	564.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propionic acid, 2-propylphenyl ester.

Sources

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

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