Chemical Properties of Isophthalic acid, hexadecyl 4-methylpent-2-yl ester

InChI

InChI=1S/C30H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33-29(31)27-20-19-21-28(24-27)30(32)34-26(4)23-25(2)3/h19-21,24-26H,5-18,22-23H2,1-4H3

InChI Key

ZHDORUBQAQSLCT-UHFFFAOYSA-N

Formula

C30H50O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1cccc(C(=O)OC(C)CC(C)C)c1

Molecular Weight¹

474.72

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.2948		Relay (1.0) Calculated Property
ΔfG°	-168.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1074.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.64	kJ/mol	Joback Calculated Property
ΔvapH°	127.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-8.43		Relay (1.0) Calculated Property
logPoct/wat	8.916		Crippen Calculated Property
McVol	424.680	ml/mol	McGowan Calculated Property
Pc	740.84	kPa	Joback Calculated Property
Inp	[3313.00; 3313.00]
Inp	3313.00		NIST
Inp	3313.00		NIST
Tboil	696.74	K	Relay (1.0) Calculated Property
Tc	896.71	K	Relay (1.0) Calculated Property
Tfus	298.97	K	Relay (1.0) Calculated Property
Vc	1.598	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1497.17; 1579.37]	J/mol×K	[1069.16; 1319.32]
Cp,gas	1497.17	J/mol×K	1069.16	Joback Calculated Property
Cp,gas	1515.72	J/mol×K	1110.85	Joback Calculated Property
Cp,gas	1532.20	J/mol×K	1152.55	Joback Calculated Property
Cp,gas	1546.71	J/mol×K	1194.24	Joback Calculated Property
Cp,gas	1559.34	J/mol×K	1235.93	Joback Calculated Property
Cp,gas	1570.20	J/mol×K	1277.62	Joback Calculated Property
Cp,gas	1579.37	J/mol×K	1319.32	Joback Calculated Property
η	[0.0000101; 0.0002206]	Pa×s	[581.12; 1069.16]
η	0.0002206	Pa×s	581.12	Joback Calculated Property
η	0.0000962	Pa×s	662.46	Joback Calculated Property
η	0.0000503	Pa×s	743.80	Joback Calculated Property
η	0.0000299	Pa×s	825.14	Joback Calculated Property
η	0.0000195	Pa×s	906.48	Joback Calculated Property
η	0.0000136	Pa×s	987.82	Joback Calculated Property
η	0.0000101	Pa×s	1069.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, hexadecyl 4-methylpent-2-yl ester.

Sources

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

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