Chemical Properties of Isophthalic acid, 3-methylbut-2-yl pentyl ester

InChI

InChI=1S/C18H26O4/c1-5-6-7-11-21-17(19)15-9-8-10-16(12-15)18(20)22-14(4)13(2)3/h8-10,12-14H,5-7,11H2,1-4H3

InChI Key

YZCOOMXBUMNRFO-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCCCOC(=O)c1cccc(C(=O)OC(C)C(C)C)c1

Molecular Weight¹

306.40

• 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	0.8517		Relay (... Calculated Property
ΔfG°	-269.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-819.89	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.56	kJ/mol	Joback Calculated Property
ΔvapH°	81.70	kJ/mol	Relay (... Calculated Property
IE	9.16	eV	Relay (... Calculated Property
log10WS	-4.86		Relay (... Calculated Property
logPoct/wat	4.235		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Pc	1572.21	kPa	Joback Calculated Property
Inp	[2218.00; 2218.00]
Inp	2218.00		NIST
Inp	2218.00		NIST
Tboil	612.52	K	Relay (... Calculated Property
Tc	807.56	K	Relay (... Calculated Property
Tfus	285.68	K	Relay (... Calculated Property
Vc	0.943	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.32; 842.26]	J/mol×K	[794.60; 999.14]
Cp,gas	762.32	J/mol×K	794.60	Joback Calculated Property
Cp,gas	778.37	J/mol×K	828.69	Joback Calculated Property
Cp,gas	793.31	J/mol×K	862.78	Joback Calculated Property
Cp,gas	807.15	J/mol×K	896.87	Joback Calculated Property
Cp,gas	819.91	J/mol×K	930.96	Joback Calculated Property
Cp,gas	831.61	J/mol×K	965.05	Joback Calculated Property
Cp,gas	842.26	J/mol×K	999.14	Joback Calculated Property
η	[0.0000608; 0.0009566]	Pa×s	[445.88; 794.60]
η	0.0009566	Pa×s	445.88	Joback Calculated Property
η	0.0004637	Pa×s	504.00	Joback Calculated Property
η	0.0002611	Pa×s	562.12	Joback Calculated Property
η	0.0001637	Pa×s	620.24	Joback Calculated Property
η	0.0001112	Pa×s	678.36	Joback Calculated Property
η	0.0000803	Pa×s	736.48	Joback Calculated Property
η	0.0000608	Pa×s	794.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3-methylbut-2-yl pentyl ester.

Sources

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

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