Chemical Properties of Isophthalic acid, isohexyl 4-isopropylphenyl ester

InChI

InChI=1S/C23H28O4/c1-16(2)7-6-14-26-22(24)19-8-5-9-20(15-19)23(25)27-21-12-10-18(11-13-21)17(3)4/h5,8-13,15-17H,6-7,14H2,1-4H3

InChI Key

DGYHZOVKWIGFLH-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

CC(C)CCCOC(=O)c1cccc(C(=O)Oc2ccc(C(C)C)cc2)c1

Molecular Weight¹

368.47

• 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).
• 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	0.9595		Relay (1.0) Calculated Property
ΔfusH°	44.32	kJ/mol	Joback Calculated Property
log10WS	-6.41		Relay (1.0) Calculated Property
logPoct/wat	5.622		Crippen Calculated Property
McVol	302.290	ml/mol	McGowan Calculated Property
Pc	1305.17	kPa	Joback Calculated Property
Inp	[2935.00; 2935.00]
Inp	2935.00		NIST
Inp	2935.00		NIST
Tboil	671.61	K	Relay (1.0) Calculated Property
Tc	926.63	K	Relay (1.0) Calculated Property
Tfus	313.29	K	Relay (1.0) Calculated Property
Vc	1.103	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[945.25; 1011.70]	J/mol×K	[904.72; 1126.71]
Cp,gas	945.25	J/mol×K	904.72	Joback Calculated Property
Cp,gas	959.97	J/mol×K	941.72	Joback Calculated Property
Cp,gas	973.16	J/mol×K	978.72	Joback Calculated Property
Cp,gas	984.89	J/mol×K	1015.71	Joback Calculated Property
Cp,gas	995.19	J/mol×K	1052.71	Joback Calculated Property
Cp,gas	1004.11	J/mol×K	1089.71	Joback Calculated Property
Cp,gas	1011.70	J/mol×K	1126.71	Joback Calculated Property
η	[0.0000237; 0.0005829]	Pa×s	[481.51; 904.72]
η	0.0005829	Pa×s	481.51	Joback Calculated Property
η	0.0002431	Pa×s	552.04	Joback Calculated Property
η	0.0001236	Pa×s	622.58	Joback Calculated Property
η	0.0000721	Pa×s	693.12	Joback Calculated Property
η	0.0000465	Pa×s	763.65	Joback Calculated Property
η	0.0000323	Pa×s	834.19	Joback Calculated Property
η	0.0000237	Pa×s	904.72	Joback Calculated Property

Similar Compounds

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

Sources

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

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