Chemical Properties of Isophthalic acid, 3-methylbut-2-en-1-yl pentyl ester

InChI

InChI=1S/C18H24O4/c1-4-5-6-11-21-17(19)15-8-7-9-16(13-15)18(20)22-12-10-14(2)3/h7-10,13H,4-6,11-12H2,1-3H3

InChI Key

UVROMVJOMZBTOP-UHFFFAOYSA-N

Formula

C18H24O4

SMILES

CCCCCOC(=O)c1cccc(C(=O)OCC=C(C)C)c1

Molecular Weight¹

304.38

• 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).
• 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
ΔfG°	-192.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-571.96	kJ/mol	Joback Calculated Property
ΔfusH°	40.49	kJ/mol	Joback Calculated Property
ΔvapH°	76.95	kJ/mol	Joback Calculated Property
log10WS	-5.16		Crippen Calculated Property
logPoct/wat	4.157		Crippen Calculated Property
McVol	251.300	ml/mol	McGowan Calculated Property
Pc	1624.60	kPa	Joback Calculated Property
Inp	[2343.00; 2343.00]
Inp	2343.00		NIST
Inp	2343.00		NIST
Tboil	799.52	K	Joback Calculated Property
Tc	1006.60	K	Joback Calculated Property
Tfus	456.84	K	Joback Calculated Property
Vc	0.965	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.37; 812.52]	J/mol×K	[799.52; 1006.60]
Cp,gas	735.37	J/mol×K	799.52	Joback Calculated Property
Cp,gas	750.70	J/mol×K	834.03	Joback Calculated Property
Cp,gas	765.01	J/mol×K	868.55	Joback Calculated Property
Cp,gas	778.31	J/mol×K	903.06	Joback Calculated Property
Cp,gas	790.64	J/mol×K	937.57	Joback Calculated Property
Cp,gas	802.04	J/mol×K	972.09	Joback Calculated Property
Cp,gas	812.52	J/mol×K	1006.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3-methylbut-2-en-1-yl pentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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