Chemical Properties of Hexanedioic acid, diheptyl ester (CAS 14697-48-4)

InChI

InChI=1S/C20H38O4/c1-3-5-7-9-13-17-23-19(21)15-11-12-16-20(22)24-18-14-10-8-6-4-2/h3-18H2,1-2H3

InChI Key

SITULKFUBJXOJH-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCCCCCOC(=O)CCCCC(=O)OCCCCCCC

Molecular Weight¹

342.51

CAS

14697-48-4

Other Names

• diheptyl adipate
• adipic acid, diheptyl ester

• 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	1.0508		Relay (1.0) Calculated Property
ΔfH°gas	-1070.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.29	kJ/mol	Joback Calculated Property
ΔvapH°	98.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
log10WS	-5.21		Relay (1.0) Calculated Property
logPoct/wat	5.574		Crippen Calculated Property
McVol	307.540	ml/mol	McGowan Calculated Property
Pc	1022.04	kPa	Joback Calculated Property
Inp	[2331.00; 2331.00]
Inp	2331.00		NIST
Inp	2331.00		NIST
Tboil	612.22	K	Relay (1.0) Calculated Property
Tc	780.66	K	Relay (1.0) Calculated Property
Tfus	277.95	K	Relay (1.0) Calculated Property
Vc	1.201	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	[952.06; 1047.24]	J/mol×K	[773.64; 950.76]
Cp,gas	952.06	J/mol×K	773.64	Joback Calculated Property
Cp,gas	970.49	J/mol×K	803.16	Joback Calculated Property
Cp,gas	987.88	J/mol×K	832.68	Joback Calculated Property
Cp,gas	1004.23	J/mol×K	862.20	Joback Calculated Property
Cp,gas	1019.56	J/mol×K	891.72	Joback Calculated Property
Cp,gas	1033.89	J/mol×K	921.24	Joback Calculated Property
Cp,gas	1047.24	J/mol×K	950.76	Joback Calculated Property
η	[0.0000420; 0.0015283]	Pa×s	[399.82; 773.64]
η	0.0015283	Pa×s	399.82	Joback Calculated Property
η	0.0005608	Pa×s	462.12	Joback Calculated Property
η	0.0002611	Pa×s	524.43	Joback Calculated Property
η	0.0001430	Pa×s	586.73	Joback Calculated Property
η	0.0000879	Pa×s	649.03	Joback Calculated Property
η	0.0000589	Pa×s	711.34	Joback Calculated Property
η	0.0000420	Pa×s	773.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid, diheptyl ester.

Sources

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

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