Chemical Properties of Isophthalic acid, cyclohexylmethyl propyl ester

InChI

InChI=1S/C18H24O4/c1-2-11-21-17(19)15-9-6-10-16(12-15)18(20)22-13-14-7-4-3-5-8-14/h6,9-10,12,14H,2-5,7-8,11,13H2,1H3

InChI Key

TZZRPBFNJJPQCN-UHFFFAOYSA-N

Formula

C18H24O4

SMILES

CCCOC(=O)c1cccc(C(=O)OCC2CCCCC2)c1

Molecular Weight¹

304.38

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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	0.8052		Relay (1.0) Calculated Property
ΔfH°gas	-765.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.60	kJ/mol	Joback Calculated Property
ΔvapH°	88.23	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.22		Relay (1.0) Calculated Property
logPoct/wat	3.990		Crippen Calculated Property
McVol	244.740	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[2433.00; 2433.00]
Inp	2433.00		NIST
Inp	2433.00		NIST
Tboil	659.84	K	Relay (1.0) Calculated Property
Tc	860.95	K	Relay (1.0) Calculated Property
Tfus	284.62	K	Relay (1.0) Calculated Property
Vc	0.896	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[743.60; 827.39]	J/mol×K	[779.09; 998.86]
Cp,gas	743.60	J/mol×K	779.09	Joback Calculated Property
Cp,gas	761.29	J/mol×K	815.72	Joback Calculated Property
Cp,gas	777.45	J/mol×K	852.35	Joback Calculated Property
Cp,gas	792.11	J/mol×K	888.97	Joback Calculated Property
Cp,gas	805.30	J/mol×K	925.60	Joback Calculated Property
Cp,gas	817.05	J/mol×K	962.23	Joback Calculated Property
Cp,gas	827.39	J/mol×K	998.86	Joback Calculated Property
η	[0.0000587; 0.0013209]	Pa×s	[423.60; 779.09]
η	0.0013209	Pa×s	423.60	Joback Calculated Property
η	0.0005717	Pa×s	482.85	Joback Calculated Property
η	0.0002971	Pa×s	542.10	Joback Calculated Property
η	0.0001757	Pa×s	601.35	Joback Calculated Property
η	0.0001141	Pa×s	660.59	Joback Calculated Property
η	0.0000796	Pa×s	719.84	Joback Calculated Property
η	0.0000587	Pa×s	779.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, cyclohexylmethyl propyl ester.

Sources

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

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