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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.7525		Relay (1.0) Calculated Property
ΔfG°	-121.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-645.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.39	kJ/mol	Joback Calculated Property
ΔvapH°	86.61	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	1701.90	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	820.26	K	Relay (1.0) Calculated Property
Tfus	319.02	K	Relay (1.0) Calculated Property
Vc	0.881	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.28; 785.16]	J/mol×K	[803.56; 1019.04]
Cp,gas	709.28	J/mol×K	803.56	Joback Calculated Property
Cp,gas	724.31	J/mol×K	839.47	Joback Calculated Property
Cp,gas	738.31	J/mol×K	875.39	Joback Calculated Property
Cp,gas	751.35	J/mol×K	911.30	Joback Calculated Property
Cp,gas	763.48	J/mol×K	947.21	Joback Calculated Property
Cp,gas	774.73	J/mol×K	983.12	Joback Calculated Property
Cp,gas	785.16	J/mol×K	1019.04	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

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