Chemical Properties of Isophthalic acid, hexyl 2-isopropylphenyl ester

InChI

InChI=1S/C23H28O4/c1-4-5-6-9-15-26-22(24)18-11-10-12-19(16-18)23(25)27-21-14-8-7-13-20(21)17(2)3/h7-8,10-14,16-17H,4-6,9,15H2,1-3H3

InChI Key

AETCFYJPDMOTPD-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

CCCCCCOC(=O)c1cccc(C(=O)Oc2ccccc2C(C)C)c1

Molecular Weight¹

368.47

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.9905		Relay (1.0) Calculated Property
ΔfH°gas	-667.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.68	kJ/mol	Joback Calculated Property
ΔvapH°	104.06	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.23		Relay (1.0) Calculated Property
logPoct/wat	5.766		Crippen Calculated Property
McVol	302.290	ml/mol	McGowan Calculated Property
Pc	1377.86	kPa	Joback Calculated Property
Inp	[2810.00; 2810.00]
Inp	2810.00		NIST
Inp	2810.00		NIST
Tboil	665.71	K	Relay (1.0) Calculated Property
Tc	918.71	K	Relay (1.0) Calculated Property
Tfus	311.61	K	Relay (1.0) Calculated Property
Vc	1.110	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[956.42; 1022.27]	J/mol×K	[941.10; 1165.57]
Cp,gas	956.42	J/mol×K	941.10	Joback Calculated Property
Cp,gas	970.76	J/mol×K	978.51	Joback Calculated Property
Cp,gas	983.70	J/mol×K	1015.92	Joback Calculated Property
Cp,gas	995.28	J/mol×K	1053.33	Joback Calculated Property
Cp,gas	1005.54	J/mol×K	1090.75	Joback Calculated Property
Cp,gas	1014.52	J/mol×K	1128.16	Joback Calculated Property
Cp,gas	1022.27	J/mol×K	1165.57	Joback Calculated Property
η	[0.0000343; 0.0003644]	Pa×s	[556.17; 941.10]
η	0.0003644	Pa×s	556.17	Joback Calculated Property
η	0.0002004	Pa×s	620.33	Joback Calculated Property
η	0.0001233	Pa×s	684.48	Joback Calculated Property
η	0.0000824	Pa×s	748.63	Joback Calculated Property
η	0.0000587	Pa×s	812.79	Joback Calculated Property
η	0.0000440	Pa×s	876.94	Joback Calculated Property
η	0.0000343	Pa×s	941.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, hexyl 2-isopropylphenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.