Chemical Properties of Isobutyric acid, 2-propylphenyl ester

InChI

InChI=1S/C13H18O2/c1-4-7-11-8-5-6-9-12(11)15-13(14)10(2)3/h5-6,8-10H,4,7H2,1-3H3

InChI Key

WUODIVZJEXMCLC-UHFFFAOYSA-N

Formula

C13H18O2

SMILES

CCCc1ccccc1OC(=O)C(C)C

Molecular Weight¹

206.28

• 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	0.6038		Relay (1.0) Calculated Property
ΔfusH°	23.92	kJ/mol	Joback Calculated Property
ΔvapH°	65.59	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.200		Crippen Calculated Property
McVol	177.710	ml/mol	McGowan Calculated Property
Pc	2189.73	kPa	Joback Calculated Property
Inp	[1460.00; 1460.00]
Inp	1460.00		NIST
Inp	1460.00		NIST
Tboil	515.79	K	Relay (1.0) Calculated Property
Tc	734.13	K	Relay (1.0) Calculated Property
Tfus	253.42	K	Relay (1.0) Calculated Property
Vc	0.660	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	[438.06; 522.19]	J/mol×K	[586.48; 792.16]
Cp,gas	438.06	J/mol×K	586.48	Joback Calculated Property
Cp,gas	454.34	J/mol×K	620.76	Joback Calculated Property
Cp,gas	469.68	J/mol×K	655.04	Joback Calculated Property
Cp,gas	484.12	J/mol×K	689.32	Joback Calculated Property
Cp,gas	497.67	J/mol×K	723.60	Joback Calculated Property
Cp,gas	510.35	J/mol×K	757.88	Joback Calculated Property
Cp,gas	522.19	J/mol×K	792.16	Joback Calculated Property
η	[0.0001397; 0.0031372]	Pa×s	[302.54; 586.48]
η	0.0031372	Pa×s	302.54	Joback Calculated Property
η	0.0013153	Pa×s	349.86	Joback Calculated Property
η	0.0006784	Pa×s	397.19	Joback Calculated Property
η	0.0004029	Pa×s	444.51	Joback Calculated Property
η	0.0002645	Pa×s	491.83	Joback Calculated Property
η	0.0001869	Pa×s	539.16	Joback Calculated Property
η	0.0001397	Pa×s	586.48	Joback Calculated Property

Similar Compounds

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

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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