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

InChI

InChI=1S/C22H32O4/c1-4-5-6-7-8-9-10-11-15-25-21(23)19-13-12-14-20(16-19)22(24)26-17-18(2)3/h12-14,16H,2,4-11,15,17H2,1,3H3

InChI Key

NKTHWWCUCZANES-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

C=C(C)COC(=O)c1cccc(C(=O)OCCCCCCCCCC)c1

Molecular Weight¹

360.49

• 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°	-151.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-646.31	kJ/mol	Joback Calculated Property
ΔfusH°	49.37	kJ/mol	Joback Calculated Property
ΔvapH°	85.23	kJ/mol	Joback Calculated Property
log10WS	-6.83		Crippen Calculated Property
logPoct/wat	5.717		Crippen Calculated Property
McVol	307.660	ml/mol	McGowan Calculated Property
Pc	1209.83	kPa	Joback Calculated Property
Inp	[2707.00; 2707.00]
Inp	2707.00		NIST
Inp	2707.00		NIST
Tboil	883.56	K	Joback Calculated Property
Tc	1088.50	K	Joback Calculated Property
Tfus	505.24	K	Joback Calculated Property
Vc	1.190	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[968.67; 1048.60]	J/mol×K	[883.56; 1088.50]
Cp,gas	968.67	J/mol×K	883.56	Joback Calculated Property
Cp,gas	984.85	J/mol×K	917.72	Joback Calculated Property
Cp,gas	999.85	J/mol×K	951.87	Joback Calculated Property
Cp,gas	1013.69	J/mol×K	986.03	Joback Calculated Property
Cp,gas	1026.40	J/mol×K	1020.19	Joback Calculated Property
Cp,gas	1038.03	J/mol×K	1054.34	Joback Calculated Property
Cp,gas	1048.60	J/mol×K	1088.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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