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

InChI

InChI=1S/C23H34O4/c1-4-5-6-7-8-9-10-11-16-26-22(24)20-13-12-14-21(18-20)23(25)27-17-15-19(2)3/h12-15,18H,4-11,16-17H2,1-3H3

InChI Key

LTRWLFNNKLTDKN-UHFFFAOYSA-N

Formula

C23H34O4

SMILES

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

Molecular Weight¹

374.51

• 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	1.0377		Relay (1.0) Calculated Property
ΔfG°	-150.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-818.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.44	kJ/mol	Joback Calculated Property
ΔvapH°	103.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-6.89		Relay (1.0) Calculated Property
logPoct/wat	6.107		Crippen Calculated Property
McVol	321.750	ml/mol	McGowan Calculated Property
Pc	1140.57	kPa	Joback Calculated Property
Inp	[2854.00; 2854.00]
Inp	2854.00		NIST
Inp	2854.00		NIST
Tboil	660.34	K	Relay (1.0) Calculated Property
Tc	860.22	K	Relay (1.0) Calculated Property
Tfus	295.02	K	Relay (1.0) Calculated Property
Vc	1.192	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1030.09; 1111.75]	J/mol×K	[913.92; 1123.15]
Cp,gas	1030.09	J/mol×K	913.92	Joback Calculated Property
Cp,gas	1046.54	J/mol×K	948.79	Joback Calculated Property
Cp,gas	1061.79	J/mol×K	983.66	Joback Calculated Property
Cp,gas	1075.89	J/mol×K	1018.53	Joback Calculated Property
Cp,gas	1088.89	J/mol×K	1053.40	Joback Calculated Property
Cp,gas	1100.83	J/mol×K	1088.27	Joback Calculated Property
Cp,gas	1111.75	J/mol×K	1123.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, decyl 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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