Chemical Properties of Isophthalic acid, hexyl 2-methylcyclohexyl ester

InChI

InChI=1S/C21H30O4/c1-3-4-5-8-14-24-20(22)17-11-9-12-18(15-17)21(23)25-19-13-7-6-10-16(19)2/h9,11-12,15-16,19H,3-8,10,13-14H2,1-2H3

InChI Key

ZASGAFMBSYXEKC-UHFFFAOYSA-N

Formula

C21H30O4

SMILES

CCCCCCOC(=O)c1cccc(C(=O)OC2CCCCC2C)c1

Molecular Weight¹

346.46

• 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	0.9015		Relay (1.0) Calculated Property
ΔfusH°	45.44	kJ/mol	Joback Calculated Property
log10WS	-5.70		Relay (1.0) Calculated Property
logPoct/wat	5.159		Crippen Calculated Property
McVol	287.010	ml/mol	McGowan Calculated Property
Pc	1335.88	kPa	Joback Calculated Property
Inp	[2662.00; 2662.00]
Inp	2662.00		NIST
Inp	2662.00		NIST
Tboil	663.08	K	Relay (1.0) Calculated Property
Tc	884.59	K	Relay (1.0) Calculated Property
Tfus	288.74	K	Relay (1.0) Calculated Property
Vc	1.057	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	[922.53; 1005.79]	J/mol×K	[843.06; 1056.71]
Cp,gas	922.53	J/mol×K	843.06	Joback Calculated Property
Cp,gas	940.36	J/mol×K	878.67	Joback Calculated Property
Cp,gas	956.57	J/mol×K	914.28	Joback Calculated Property
Cp,gas	971.19	J/mol×K	949.88	Joback Calculated Property
Cp,gas	984.25	J/mol×K	985.49	Joback Calculated Property
Cp,gas	995.77	J/mol×K	1021.10	Joback Calculated Property
Cp,gas	1005.79	J/mol×K	1056.71	Joback Calculated Property
η	[0.0000491; 0.0009716]	Pa×s	[453.17; 843.06]
η	0.0009716	Pa×s	453.17	Joback Calculated Property
η	0.0004324	Pa×s	518.15	Joback Calculated Property
η	0.0002304	Pa×s	583.13	Joback Calculated Property
η	0.0001393	Pa×s	648.12	Joback Calculated Property
η	0.0000923	Pa×s	713.10	Joback Calculated Property
η	0.0000656	Pa×s	778.08	Joback Calculated Property
η	0.0000491	Pa×s	843.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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