Chemical Properties of Isophthalic acid, isohexyl pent-4-enyl ester

InChI

InChI=1S/C19H26O4/c1-4-5-6-12-22-18(20)16-10-7-11-17(14-16)19(21)23-13-8-9-15(2)3/h4,7,10-11,14-15H,1,5-6,8-9,12-13H2,2-3H3

InChI Key

MGNWETZBCZHXIQ-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

C=CCCCOC(=O)c1cccc(C(=O)OCCCC(C)C)c1

Molecular Weight¹

318.41

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	0.8891		Relay (1.0) Calculated Property
ΔfusH°	42.55	kJ/mol	Joback Calculated Property
ΔvapH°	89.10	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.24		Relay (1.0) Calculated Property
logPoct/wat	4.403		Crippen Calculated Property
McVol	265.390	ml/mol	McGowan Calculated Property
Pc	1406.95	kPa	Joback Calculated Property
Inp	[2303.00; 2303.00]
Inp	2303.00		NIST
Inp	2303.00		NIST
Tboil	652.43	K	Relay (1.0) Calculated Property
Tc	831.43	K	Relay (1.0) Calculated Property
Tfus	276.02	K	Relay (1.0) Calculated Property
Vc	0.961	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[780.71; 859.76]	J/mol×K	[778.66; 977.67]
Cp,gas	780.71	J/mol×K	778.66	Joback Calculated Property
Cp,gas	796.68	J/mol×K	811.83	Joback Calculated Property
Cp,gas	811.49	J/mol×K	845.00	Joback Calculated Property
Cp,gas	825.18	J/mol×K	878.17	Joback Calculated Property
Cp,gas	837.77	J/mol×K	911.33	Joback Calculated Property
Cp,gas	849.29	J/mol×K	944.50	Joback Calculated Property
Cp,gas	859.76	J/mol×K	977.67	Joback Calculated Property
η	[0.0000481; 0.0012541]	Pa×s	[410.73; 778.66]
η	0.0012541	Pa×s	410.73	Joback Calculated Property
η	0.0005118	Pa×s	472.05	Joback Calculated Property
η	0.0002567	Pa×s	533.37	Joback Calculated Property
η	0.0001484	Pa×s	594.69	Joback Calculated Property
η	0.0000951	Pa×s	656.02	Joback Calculated Property
η	0.0000657	Pa×s	717.34	Joback Calculated Property
η	0.0000481	Pa×s	778.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, isohexyl pent-4-enyl ester.

Sources

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

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