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

InChI

InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-26(28)24-18-17-19-25(21-24)27(29)31-22-23(2)3/h17-19,21H,2,4-16,20,22H2,1,3H3

InChI Key

WVKFYGCJGIHUOM-UHFFFAOYSA-N

Formula

C27H42O4

SMILES

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

Molecular Weight¹

430.62

• 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	1.2228		Relay (... Calculated Property
ΔfG°	-109.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-893.06	kJ/mol	Relay (... Calculated Property
ΔfusH°	62.32	kJ/mol	Joback Calculated Property
ΔvapH°	118.31	kJ/mol	Relay (... Calculated Property
IE	9.35	eV	Relay (... Calculated Property
log10WS	-7.88		Relay (... Calculated Property
logPoct/wat	7.668		Crippen Calculated Property
McVol	378.110	ml/mol	McGowan Calculated Property
Pc	888.41	kPa	Joback Calculated Property
Inp	[3238.00; 3238.00]
Inp	3238.00		NIST
Inp	3238.00		NIST
Tboil	699.56	K	Relay (... Calculated Property
Tc	886.99	K	Relay (... Calculated Property
Tfus	302.63	K	Relay (... Calculated Property
Vc	1.419	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1275.98; 1358.93]	J/mol×K	[997.96; 1222.59]
Cp,gas	1275.98	J/mol×K	997.96	Joback Calculated Property
Cp,gas	1293.43	J/mol×K	1035.40	Joback Calculated Property
Cp,gas	1309.34	J/mol×K	1072.84	Joback Calculated Property
Cp,gas	1323.78	J/mol×K	1110.27	Joback Calculated Property
Cp,gas	1336.82	J/mol×K	1147.71	Joback Calculated Property
Cp,gas	1348.52	J/mol×K	1185.15	Joback Calculated Property
Cp,gas	1358.93	J/mol×K	1222.59	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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