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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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
ΔfG°	-111.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-502.91	kJ/mol	Joback Calculated Property
ΔfusH°	38.52	kJ/mol	Joback Calculated Property
ΔvapH°	88.87	kJ/mol	Joback Calculated Property
log10WS	-5.79		Crippen Calculated Property
logPoct/wat	4.621		Crippen Calculated Property
McVol	277.340	ml/mol	McGowan Calculated Property
Pc	1687.95	kPa	Joback Calculated Property
Inp	[2759.00; 2759.00]
Inp	2759.00		NIST
Inp	2759.00		NIST
Tboil	933.54	K	Joback Calculated Property
Tc	1178.71	K	Joback Calculated Property
Tfus	563.04	K	Joback Calculated Property
Vc	1.032	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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