Chemical Properties of Isophthalic acid, isohexyl 1-isopropyl-2-methylpropyl ester

InChI

InChI=1S/C21H32O4/c1-14(2)9-8-12-24-20(22)17-10-7-11-18(13-17)21(23)25-19(15(3)4)16(5)6/h7,10-11,13-16,19H,8-9,12H2,1-6H3

InChI Key

DQEXJHJXRBVXAG-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

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

Molecular Weight¹

348.48

• 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	0.8954		Relay (... Calculated Property
ΔfG°	-248.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-891.32	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.28	kJ/mol	Joback Calculated Property
ΔvapH°	86.89	kJ/mol	Relay (... Calculated Property
IE	9.13	eV	Relay (... Calculated Property
log10WS	-5.72		Relay (... Calculated Property
logPoct/wat	5.117		Crippen Calculated Property
McVol	297.870	ml/mol	McGowan Calculated Property
Pc	1280.99	kPa	Joback Calculated Property
Inp	[2317.00; 2317.00]
Inp	2317.00		NIST
Inp	2317.00		NIST
Tboil	635.63	K	Relay (... Calculated Property
Tc	834.60	K	Relay (... Calculated Property
Tfus	300.84	K	Relay (... Calculated Property
Vc	1.080	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[939.16; 1021.02]	J/mol×K	[862.36; 1070.10]
Cp,gas	939.16	J/mol×K	862.36	Joback Calculated Property
Cp,gas	955.95	J/mol×K	896.98	Joback Calculated Property
Cp,gas	971.45	J/mol×K	931.61	Joback Calculated Property
Cp,gas	985.68	J/mol×K	966.23	Joback Calculated Property
Cp,gas	998.67	J/mol×K	1000.86	Joback Calculated Property
Cp,gas	1010.44	J/mol×K	1035.48	Joback Calculated Property
Cp,gas	1021.02	J/mol×K	1070.10	Joback Calculated Property
η	[0.0000334; 0.0009632]	Pa×s	[449.69; 862.36]
η	0.0009632	Pa×s	449.69	Joback Calculated Property
η	0.0003795	Pa×s	518.47	Joback Calculated Property
η	0.0001859	Pa×s	587.25	Joback Calculated Property
η	0.0001058	Pa×s	656.02	Joback Calculated Property
η	0.0000670	Pa×s	724.80	Joback Calculated Property
η	0.0000459	Pa×s	793.58	Joback Calculated Property
η	0.0000334	Pa×s	862.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, isohexyl 1-isopropyl-2-methylpropyl ester.

Sources

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

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