Chemical Properties of Isophthalic acid, 2,5-dimethylphenyl hexyl ester

InChI

InChI=1S/C22H26O4/c1-4-5-6-7-13-25-21(23)18-9-8-10-19(15-18)22(24)26-20-14-16(2)11-12-17(20)3/h8-12,14-15H,4-7,13H2,1-3H3

InChI Key

UASCUGCCPFDALB-UHFFFAOYSA-N

Formula

C22H26O4

SMILES

CCCCCCOC(=O)c1cccc(C(=O)Oc2cc(C)ccc2C)c1

Molecular Weight¹

354.45

• 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	0.9909		Relay (1.0) Calculated Property
ΔfusH°	48.39	kJ/mol	Joback Calculated Property
log10WS	-6.09		Relay (1.0) Calculated Property
logPoct/wat	5.260		Crippen Calculated Property
McVol	288.200	ml/mol	McGowan Calculated Property
Pc	1368.70	kPa	Joback Calculated Property
Inp	[2837.00; 2837.00]
Inp	2837.00		NIST
Inp	2837.00		NIST
Tboil	672.50	K	Relay (1.0) Calculated Property
Tc	919.53	K	Relay (1.0) Calculated Property
Tfus	302.66	K	Relay (1.0) Calculated Property
Vc	1.069	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	[884.59; 950.27]	J/mol×K	[887.70; 1106.50]
Cp,gas	884.59	J/mol×K	887.70	Joback Calculated Property
Cp,gas	898.97	J/mol×K	924.17	Joback Calculated Property
Cp,gas	911.93	J/mol×K	960.63	Joback Calculated Property
Cp,gas	923.51	J/mol×K	997.10	Joback Calculated Property
Cp,gas	933.74	J/mol×K	1033.56	Joback Calculated Property
Cp,gas	942.65	J/mol×K	1070.03	Joback Calculated Property
Cp,gas	950.27	J/mol×K	1106.50	Joback Calculated Property
η	[0.0000334; 0.0004207]	Pa×s	[512.76; 887.70]
η	0.0004207	Pa×s	512.76	Joback Calculated Property
η	0.0002193	Pa×s	575.25	Joback Calculated Property
η	0.0001299	Pa×s	637.74	Joback Calculated Property
η	0.0000845	Pa×s	700.23	Joback Calculated Property
η	0.0000590	Pa×s	762.72	Joback Calculated Property
η	0.0000435	Pa×s	825.21	Joback Calculated Property
η	0.0000334	Pa×s	887.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2,5-dimethylphenyl hexyl 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.
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