Chemical Properties of Isophthalic acid, isohexyl 2-propylphenyl ester

InChI

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

InChI Key

NLFDMCCBRRFAPQ-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

CCCc1ccccc1OC(=O)c1cccc(C(=O)OCCCC(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_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	0.9908		Relay (1.0) Calculated Property
ΔfusH°	47.84	kJ/mol	Joback Calculated Property
log10WS	-6.16		Relay (1.0) Calculated Property
logPoct/wat	5.451		Crippen Calculated Property
McVol	302.290	ml/mol	McGowan Calculated Property
Pc	1297.66	kPa	Joback Calculated Property
Inp	[2719.00; 2719.00]
Inp	2719.00		NIST
Inp	2719.00		NIST
Tboil	678.08	K	Relay (1.0) Calculated Property
Tc	917.04	K	Relay (1.0) Calculated Property
Tfus	302.80	K	Relay (1.0) Calculated Property
Vc	1.108	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	[944.75; 1011.14]	J/mol×K	[905.16; 1124.93]
Cp,gas	944.75	J/mol×K	905.16	Joback Calculated Property
Cp,gas	959.35	J/mol×K	941.79	Joback Calculated Property
Cp,gas	972.48	J/mol×K	978.42	Joback Calculated Property
Cp,gas	984.18	J/mol×K	1015.04	Joback Calculated Property
Cp,gas	994.49	J/mol×K	1051.67	Joback Calculated Property
Cp,gas	1003.47	J/mol×K	1088.30	Joback Calculated Property
Cp,gas	1011.14	J/mol×K	1124.93	Joback Calculated Property
η	[0.0000260; 0.0005022]	Pa×s	[496.51; 905.16]
η	0.0005022	Pa×s	496.51	Joback Calculated Property
η	0.0002276	Pa×s	564.62	Joback Calculated Property
η	0.0001223	Pa×s	632.73	Joback Calculated Property
η	0.0000742	Pa×s	700.83	Joback Calculated Property
η	0.0000491	Pa×s	768.94	Joback Calculated Property
η	0.0000348	Pa×s	837.05	Joback Calculated Property
η	0.0000260	Pa×s	905.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, isohexyl 2-propylphenyl ester.

Sources

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

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