Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(3-methylphenyl) ester

InChI

InChI=1S/C22H24O4/c1-15-7-5-9-17(13-15)25-21(23)19-11-3-4-12-20(19)22(24)26-18-10-6-8-16(2)14-18/h5-10,13-14,19-20H,3-4,11-12H2,1-2H3

InChI Key

NDSUOXWAUCFZEK-UHFFFAOYSA-N

Formula

C22H24O4

SMILES

Cc1cccc(OC(=O)C2CCCCC2C(=O)Oc2cccc(C)c2)c1

Molecular Weight¹

352.42

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.52	kJ/mol	Joback Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	-5.57		Relay (1.0) Calculated Property
logPoct/wat	4.621		Crippen Calculated Property
McVol	277.340	ml/mol	McGowan Calculated Property
Inp	[2759.00; 2759.00]
Inp	2759.00		NIST
Inp	2759.00		NIST
Tboil	680.24	K	Relay (1.0) Calculated Property
Tc	965.06	K	Relay (1.0) Calculated Property
Tfus	371.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[894.79; 956.69]	J/mol×K	[933.54; 1178.71]
Cp,gas	894.79	J/mol×K	933.54	Joback Calculated Property
Cp,gas	909.63	J/mol×K	974.40	Joback Calculated Property
Cp,gas	922.60	J/mol×K	1015.26	Joback Calculated Property
Cp,gas	933.75	J/mol×K	1056.13	Joback Calculated Property
Cp,gas	943.12	J/mol×K	1096.99	Joback Calculated Property
Cp,gas	950.75	J/mol×K	1137.85	Joback Calculated Property
Cp,gas	956.69	J/mol×K	1178.71	Joback Calculated Property
η	[0.0000592; 0.0004765]	Pa×s	[563.04; 933.54]
η	0.0004765	Pa×s	563.04	Joback Calculated Property
η	0.0002834	Pa×s	624.79	Joback Calculated Property
η	0.0001851	Pa×s	686.54	Joback Calculated Property
η	0.0001297	Pa×s	748.29	Joback Calculated Property
η	0.0000959	Pa×s	810.04	Joback Calculated Property
η	0.0000741	Pa×s	871.79	Joback Calculated Property
η	0.0000592	Pa×s	933.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(3-methylphenyl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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