Chemical Properties of Isophthalic acid, di(3-methylbut-2-yl) ester

InChI

InChI=1S/C18H26O4/c1-11(2)13(5)21-17(19)15-8-7-9-16(10-15)18(20)22-14(6)12(3)4/h7-14H,1-6H3

InChI Key

ZYTDGEGICDUKCZ-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CC(C)C(C)OC(=O)c1cccc(C(=O)OC(C)C(C)C)c1

Molecular Weight¹

306.40

• 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	-846.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.51	kJ/mol	Joback Calculated Property
ΔvapH°	78.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	4.089		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Pc	1592.35	kPa	Joback Calculated Property
Inp	[2124.00; 2124.00]
Inp	2124.00		NIST
Inp	2124.00		NIST
Tboil	599.77	K	Relay (1.0) Calculated Property
Tc	800.09	K	Relay (1.0) Calculated Property
Tfus	323.98	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	[763.39; 844.67]	J/mol×K	[793.72; 1003.71]
Cp,gas	763.39	J/mol×K	793.72	Joback Calculated Property
Cp,gas	779.87	J/mol×K	828.72	Joback Calculated Property
Cp,gas	795.15	J/mol×K	863.72	Joback Calculated Property
Cp,gas	809.25	J/mol×K	898.71	Joback Calculated Property
Cp,gas	822.19	J/mol×K	933.71	Joback Calculated Property
Cp,gas	833.99	J/mol×K	968.71	Joback Calculated Property
Cp,gas	844.67	J/mol×K	1003.71	Joback Calculated Property
η	[0.0000514; 0.0013805]	Pa×s	[415.88; 793.72]
η	0.0013805	Pa×s	415.88	Joback Calculated Property
η	0.0005561	Pa×s	478.85	Joback Calculated Property
η	0.0002768	Pa×s	541.83	Joback Calculated Property
η	0.0001593	Pa×s	604.80	Joback Calculated Property
η	0.0001017	Pa×s	667.77	Joback Calculated Property
η	0.0000702	Pa×s	730.75	Joback Calculated Property
η	0.0000514	Pa×s	793.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, di(3-methylbut-2-yl) 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.