Chemical Properties of Isophthalic acid, 3,4-dimethylcyclohexyl octyl ester

InChI

InChI=1S/C24H36O4/c1-4-5-6-7-8-9-15-27-23(25)20-11-10-12-21(17-20)24(26)28-22-14-13-18(2)19(3)16-22/h10-12,17-19,22H,4-9,13-16H2,1-3H3

InChI Key

AYJMQKCDZVRTKZ-UHFFFAOYSA-N

Formula

C24H36O4

SMILES

CCCCCCCCOC(=O)c1cccc(C(=O)OC2CCC(C)C(C)C2)c1

Molecular Weight¹

388.55

• 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	0.9866		Relay (1.0) Calculated Property
ΔfusH°	54.28	kJ/mol	Joback Calculated Property
log10WS	-6.60		Relay (1.0) Calculated Property
logPoct/wat	6.185		Crippen Calculated Property
McVol	329.280	ml/mol	McGowan Calculated Property
Pc	1070.06	kPa	Joback Calculated Property
Inp	[2994.00; 2994.00]
Inp	2994.00		NIST
Inp	2994.00		NIST
Tboil	675.85	K	Relay (1.0) Calculated Property
Tc	904.32	K	Relay (1.0) Calculated Property
Tfus	289.68	K	Relay (1.0) Calculated Property
Vc	1.213	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	[1108.00; 1188.07]	J/mol×K	[907.03; 1120.07]
Cp,gas	1108.00	J/mol×K	907.03	Joback Calculated Property
Cp,gas	1125.69	J/mol×K	942.54	Joback Calculated Property
Cp,gas	1141.60	J/mol×K	978.04	Joback Calculated Property
Cp,gas	1155.76	J/mol×K	1013.55	Joback Calculated Property
Cp,gas	1168.20	J/mol×K	1049.05	Joback Calculated Property
Cp,gas	1178.96	J/mol×K	1084.56	Joback Calculated Property
Cp,gas	1188.07	J/mol×K	1120.07	Joback Calculated Property
η	[0.0000418; 0.0007367]	Pa×s	[482.74; 907.03]
η	0.0007367	Pa×s	482.74	Joback Calculated Property
η	0.0003365	Pa×s	553.46	Joback Calculated Property
η	0.0001835	Pa×s	624.17	Joback Calculated Property
η	0.0001133	Pa×s	694.88	Joback Calculated Property
η	0.0000764	Pa×s	765.60	Joback Calculated Property
η	0.0000551	Pa×s	836.31	Joback Calculated Property
η	0.0000418	Pa×s	907.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,4-dimethylcyclohexyl octyl ester.

Sources

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

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