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

InChI

InChI=1S/C30H56O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-22-26-34-30(32)28-24-20-19-23-27(28)29(31)33-25-21-8-6-4-2/h27-28H,3-26H2,1-2H3

InChI Key

DPLGYHXGAXAIGT-UHFFFAOYSA-N

Formula

C30H56O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCC

Molecular Weight¹

480.76

• 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	1.2389		Relay (1.0) Calculated Property
ΔfH°gas	-1209.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.10	kJ/mol	Joback Calculated Property
ΔvapH°	136.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	Relay (1.0) Calculated Property
log10WS	-8.42		Relay (1.0) Calculated Property
logPoct/wat	8.941		Crippen Calculated Property
McVol	437.580	ml/mol	McGowan Calculated Property
Pc	652.10	kPa	Joback Calculated Property
Inp	[3364.00; 3364.00]
Inp	3364.00		NIST
Inp	3364.00		NIST
Tboil	685.18	K	Relay (1.0) Calculated Property
Tc	901.48	K	Relay (1.0) Calculated Property
Tfus	314.24	K	Relay (1.0) Calculated Property
Vc	1.647	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	[1584.98; 1676.83]	J/mol×K	[1017.32; 1256.42]
Cp,gas	1584.98	J/mol×K	1017.32	Joback Calculated Property
Cp,gas	1606.13	J/mol×K	1057.17	Joback Calculated Property
Cp,gas	1624.83	J/mol×K	1097.02	Joback Calculated Property
Cp,gas	1641.17	J/mol×K	1136.87	Joback Calculated Property
Cp,gas	1655.23	J/mol×K	1176.72	Joback Calculated Property
Cp,gas	1667.09	J/mol×K	1216.57	Joback Calculated Property
Cp,gas	1676.83	J/mol×K	1256.42	Joback Calculated Property
η	[0.0000119; 0.0004464]	Pa×s	[515.66; 1017.32]
η	0.0004464	Pa×s	515.66	Joback Calculated Property
η	0.0001600	Pa×s	599.27	Joback Calculated Property
η	0.0000738	Pa×s	682.88	Joback Calculated Property
η	0.0000403	Pa×s	766.49	Joback Calculated Property
η	0.0000247	Pa×s	850.10	Joback Calculated Property
η	0.0000166	Pa×s	933.71	Joback Calculated Property
η	0.0000119	Pa×s	1017.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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