Chemical Properties of Isobutyl methyl phthalate

InChI

InChI=1S/C13H16O4/c1-9(2)8-17-13(15)11-7-5-4-6-10(11)12(14)16-3/h4-7,9H,8H2,1-3H3

InChI Key

HRJOMMSRROBCMQ-UHFFFAOYSA-N

Formula

C13H16O4

SMILES

COC(=O)c1ccccc1C(=O)OCC(C)C

Molecular Weight¹

236.26

Other Names

• 1,2-Benzenedicarboxylic acid, isobutyl methyl ester

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6916		Relay (1.0) Calculated Property
ΔfH°gas	-677.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.29	kJ/mol	Joback Calculated Property
ΔvapH°	76.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-3.51		Relay (1.0) Calculated Property
logPoct/wat	2.286		Crippen Calculated Property
McVol	185.150	ml/mol	McGowan Calculated Property
Pc	2200.01	kPa	Joback Calculated Property
Inp	[1689.00; 1689.00]
Inp	1689.00		NIST
Inp	1689.00		NIST
Tboil	574.51	K	Relay (1.0) Calculated Property
Tc	767.40	K	Relay (1.0) Calculated Property
Tfus	271.33	K	Relay (1.0) Calculated Property
Vc	0.687	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[479.25; 553.30]	J/mol×K	[644.70; 853.17]
Cp,gas	479.25	J/mol×K	644.70	Joback Calculated Property
Cp,gas	493.99	J/mol×K	679.45	Joback Calculated Property
Cp,gas	507.76	J/mol×K	714.19	Joback Calculated Property
Cp,gas	520.57	J/mol×K	748.94	Joback Calculated Property
Cp,gas	532.42	J/mol×K	783.68	Joback Calculated Property
Cp,gas	543.33	J/mol×K	818.43	Joback Calculated Property
Cp,gas	553.30	J/mol×K	853.17	Joback Calculated Property
η	[0.0001009; 0.0023474]	Pa×s	[344.87; 644.70]
η	0.0023474	Pa×s	344.87	Joback Calculated Property
η	0.0009968	Pa×s	394.84	Joback Calculated Property
η	0.0005131	Pa×s	444.81	Joback Calculated Property
η	0.0003020	Pa×s	494.79	Joback Calculated Property
η	0.0001959	Pa×s	544.76	Joback Calculated Property
η	0.0001367	Pa×s	594.73	Joback Calculated Property
η	0.0001009	Pa×s	644.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobutyl methyl phthalate.

Sources

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

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