Chemical Properties of Isophthalic acid, hexyl 2-methylprop-2-en-1-yl ester

InChI

InChI=1S/C18H24O4/c1-4-5-6-7-11-21-17(19)15-9-8-10-16(12-15)18(20)22-13-14(2)3/h8-10,12H,2,4-7,11,13H2,1,3H3

InChI Key

DBSHCMPAFZHMIF-UHFFFAOYSA-N

Formula

C18H24O4

SMILES

C=C(C)COC(=O)c1cccc(C(=O)OCCCCCC)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°	-185.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-563.75	kJ/mol	Joback Calculated Property
ΔfusH°	39.01	kJ/mol	Joback Calculated Property
ΔvapH°	76.32	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	1611.58	kPa	Joback Calculated Property
Inp	[2291.00; 2291.00]
Inp	2291.00		NIST
Inp	2291.00		NIST
Tboil	792.04	K	Joback Calculated Property
Tc	995.99	K	Joback Calculated Property
Tfus	460.16	K	Joback Calculated Property
Vc	0.966	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[734.70; 811.50]	J/mol×K	[792.04; 995.99]
Cp,gas	734.70	J/mol×K	792.04	Joback Calculated Property
Cp,gas	750.02	J/mol×K	826.03	Joback Calculated Property
Cp,gas	764.30	J/mol×K	860.02	Joback Calculated Property
Cp,gas	777.57	J/mol×K	894.02	Joback Calculated Property
Cp,gas	789.84	J/mol×K	928.01	Joback Calculated Property
Cp,gas	801.15	J/mol×K	962.00	Joback Calculated Property
Cp,gas	811.50	J/mol×K	995.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, hexyl 2-methylprop-2-en-1-yl ester.

Sources

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

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