Chemical Properties of Isophthalic acid, di(3-methylbut-2-en-1-yl) ester

InChI

InChI=1S/C18H22O4/c1-13(2)8-10-21-17(19)15-6-5-7-16(12-15)18(20)22-11-9-14(3)4/h5-9,12H,10-11H2,1-4H3

InChI Key

GDWIJHRQXDVRPC-UHFFFAOYSA-N

Formula

C18H22O4

SMILES

CC(C)=CCOC(=O)c1cccc(C(=O)OCC=C(C)C)c1

Molecular Weight¹

302.36

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ω	0.7525		Relay (1.0) Calculated Property
ΔfH°gas	-645.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.55	kJ/mol	Joback Calculated Property
ΔvapH°	87.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	3.933		Crippen Calculated Property
McVol	247.000	ml/mol	McGowan Calculated Property
Pc	1592.35	kPa	Joback Calculated Property
Inp	[2373.00; 2373.00]
Inp	2373.00		NIST
Inp	2373.00		NIST
Tboil	619.20	K	Relay (1.0) Calculated Property
Tc	821.86	K	Relay (1.0) Calculated Property
Tfus	314.65	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[698.90; 775.29]	J/mol×K	[767.62; 979.28]
Cp,gas	698.90	J/mol×K	767.62	Joback Calculated Property
Cp,gas	714.27	J/mol×K	802.90	Joback Calculated Property
Cp,gas	728.52	J/mol×K	838.17	Joback Calculated Property
Cp,gas	741.70	J/mol×K	873.45	Joback Calculated Property
Cp,gas	753.85	J/mol×K	908.72	Joback Calculated Property
Cp,gas	765.03	J/mol×K	944.00	Joback Calculated Property
Cp,gas	775.29	J/mol×K	979.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, di(3-methylbut-2-en-1-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.
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