Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, decyl hexyl ester

InChI

InChI=1S/C24H44O4/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h21-22H,3-20H2,1-2H3

InChI Key

VXCYTMDMIPWIKM-UHFFFAOYSA-N

Formula

C24H44O4

SMILES

CCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCC

Molecular Weight¹

396.61

• 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).
• 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).
• 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	1.0276		Relay (1.0) Calculated Property
ΔfH°gas	-1088.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.56	kJ/mol	Joback Calculated Property
ΔvapH°	113.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	-6.55		Relay (1.0) Calculated Property
logPoct/wat	6.600		Crippen Calculated Property
McVol	353.040	ml/mol	McGowan Calculated Property
Pc	896.41	kPa	Joback Calculated Property
Inp	[2717.00; 2717.00]
Inp	2717.00		NIST
Inp	2717.00		NIST
Tboil	645.91	K	Relay (1.0) Calculated Property
Tc	862.02	K	Relay (1.0) Calculated Property
Tfus	299.47	K	Relay (1.0) Calculated Property
Vc	1.320	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1200.27; 1297.24]	J/mol×K	[880.04; 1078.53]
Cp,gas	1200.27	J/mol×K	880.04	Joback Calculated Property
Cp,gas	1220.33	J/mol×K	913.12	Joback Calculated Property
Cp,gas	1238.78	J/mol×K	946.20	Joback Calculated Property
Cp,gas	1255.67	J/mol×K	979.29	Joback Calculated Property
Cp,gas	1271.03	J/mol×K	1012.37	Joback Calculated Property
Cp,gas	1284.87	J/mol×K	1045.45	Joback Calculated Property
Cp,gas	1297.24	J/mol×K	1078.53	Joback Calculated Property
η	[0.0000305; 0.0010446]	Pa×s	[448.04; 880.04]
η	0.0010446	Pa×s	448.04	Joback Calculated Property
η	0.0003855	Pa×s	520.04	Joback Calculated Property
η	0.0001813	Pa×s	592.04	Joback Calculated Property
η	0.0001004	Pa×s	664.04	Joback Calculated Property
η	0.0000624	Pa×s	736.04	Joback Calculated Property
η	0.0000422	Pa×s	808.04	Joback Calculated Property
η	0.0000305	Pa×s	880.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, decyl hexyl ester.

Sources

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

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