Chemical Properties of Adipic acid, di(2-heptyl) ester

InChI

InChI=1S/C20H38O4/c1-5-7-9-13-17(3)23-19(21)15-11-12-16-20(22)24-18(4)14-10-8-6-2/h17-18H,5-16H2,1-4H3

InChI Key

HXEQAVFXRNYRDT-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCCCC(C)OC(=O)CCCCC(=O)OC(C)CCCCC

Molecular Weight¹

342.52

Other Names

• di-(1-Methylhexyl)adipate

• 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	0.9675		Relay (1.0) Calculated Property
ΔfH°gas	-1117.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.25	kJ/mol	Joback Calculated Property
ΔvapH°	94.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-4.84		Relay (1.0) Calculated Property
logPoct/wat	5.571		Crippen Calculated Property
McVol	307.540	ml/mol	McGowan Calculated Property
Pc	1032.57	kPa	Joback Calculated Property
Inp	[2138.00; 2162.00]
Inp	2162.00		NIST
Inp	2138.00		NIST
Inp	2138.00		NIST
Tboil	588.68	K	Relay (1.0) Calculated Property
Tc	766.13	K	Relay (1.0) Calculated Property
Tfus	255.07	K	Relay (1.0) Calculated Property
Vc	1.182	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	[952.99; 1048.95]	J/mol×K	[772.76; 951.83]
Cp,gas	952.99	J/mol×K	772.76	Joback Calculated Property
Cp,gas	971.65	J/mol×K	802.61	Joback Calculated Property
Cp,gas	989.23	J/mol×K	832.45	Joback Calculated Property
Cp,gas	1005.72	J/mol×K	862.30	Joback Calculated Property
Cp,gas	1021.16	J/mol×K	892.14	Joback Calculated Property
Cp,gas	1035.57	J/mol×K	921.99	Joback Calculated Property
Cp,gas	1048.95	J/mol×K	951.83	Joback Calculated Property
η	[0.0000356; 0.0026218]	Pa×s	[369.82; 772.76]
η	0.0026218	Pa×s	369.82	Joback Calculated Property
η	0.0007386	Pa×s	436.98	Joback Calculated Property
η	0.0002916	Pa×s	504.13	Joback Calculated Property
η	0.0001432	Pa×s	571.29	Joback Calculated Property
η	0.0000817	Pa×s	638.45	Joback Calculated Property
η	0.0000519	Pa×s	705.60	Joback Calculated Property
η	0.0000356	Pa×s	772.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, di(2-heptyl) ester.

Sources

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

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