Chemical Properties of Isophthalic acid, 3,3-dimethylbut-2-yl octyl ester

InChI

InChI=1S/C22H34O4/c1-6-7-8-9-10-11-15-25-20(23)18-13-12-14-19(16-18)21(24)26-17(2)22(3,4)5/h12-14,16-17H,6-11,15H2,1-5H3

InChI Key

YJARIDDSUMRXMR-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

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

Molecular Weight¹

362.50

• 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	0.9714		Relay (... Calculated Property
ΔfG°	-230.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-904.54	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.02	kJ/mol	Joback Calculated Property
ΔvapH°	92.64	kJ/mol	Relay (... Calculated Property
IE	9.18	eV	Relay (... Calculated Property
log10WS	-6.40		Relay (... Calculated Property
logPoct/wat	5.795		Crippen Calculated Property
McVol	311.960	ml/mol	McGowan Calculated Property
Pc	1193.17	kPa	Joback Calculated Property
Inp	[2490.00; 2490.00]
Inp	2490.00		NIST
Inp	2490.00		NIST
Tboil	640.34	K	Relay (... Calculated Property
Tc	842.98	K	Relay (... Calculated Property
Tfus	317.98	K	Relay (... Calculated Property
Vc	1.152	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[998.32; 1081.10]	J/mol×K	[883.33; 1091.23]
Cp,gas	998.32	J/mol×K	883.33	Joback Calculated Property
Cp,gas	1015.05	J/mol×K	917.98	Joback Calculated Property
Cp,gas	1030.54	J/mol×K	952.63	Joback Calculated Property
Cp,gas	1044.85	J/mol×K	987.28	Joback Calculated Property
Cp,gas	1058.01	J/mol×K	1021.93	Joback Calculated Property
Cp,gas	1070.07	J/mol×K	1056.58	Joback Calculated Property
Cp,gas	1081.10	J/mol×K	1091.23	Joback Calculated Property
η	[0.0000294; 0.0004944]	Pa×s	[508.38; 883.33]
η	0.0004944	Pa×s	508.38	Joback Calculated Property
η	0.0002388	Pa×s	570.87	Joback Calculated Property
η	0.0001332	Pa×s	633.36	Joback Calculated Property
η	0.0000825	Pa×s	695.86	Joback Calculated Property
η	0.0000553	Pa×s	758.35	Joback Calculated Property
η	0.0000394	Pa×s	820.84	Joback Calculated Property
η	0.0000294	Pa×s	883.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl octyl ester.

Sources

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

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