Chemical Properties of Sebacic acid, heptyl 2-(2-methoxyethyl)heptyl ester

InChI

InChI=1S/C27H52O5/c1-4-6-8-13-17-22-31-26(28)19-15-11-9-10-12-16-20-27(29)32-24-25(21-23-30-3)18-14-7-5-2/h25H,4-24H2,1-3H3

InChI Key

KVQROMPFRMUMGR-UHFFFAOYSA-N

Formula

C27H52O5

SMILES

CCCCCCCOC(=O)CCCCCCCCC(=O)OCC(CCCCC)CCOC

Molecular Weight¹

456.70

• ω : Acentric Factor.
• 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).
• 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	1.2611		Relay (1.0) Calculated Property
ΔfG°	-398.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-1322.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.92	kJ/mol	Joback Calculated Property
ΔvapH°	121.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-6.22		Relay (1.0) Calculated Property
logPoct/wat	7.397		Crippen Calculated Property
McVol	412.040	ml/mol	McGowan Calculated Property
Pc	719.91	kPa	Joback Calculated Property
Inp	[3115.00; 3115.00]
Inp	3115.00		NIST
Inp	3115.00		NIST
Tboil	675.02	K	Relay (1.0) Calculated Property
Tc	840.82	K	Relay (1.0) Calculated Property
Tfus	263.77	K	Relay (1.0) Calculated Property
Vc	1.554	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1441.72; 1538.45]	J/mol×K	[991.72; 1229.04]
Cp,gas	1441.72	J/mol×K	991.72	Joback Calculated Property
Cp,gas	1463.04	J/mol×K	1031.27	Joback Calculated Property
Cp,gas	1482.22	J/mol×K	1070.83	Joback Calculated Property
Cp,gas	1499.30	J/mol×K	1110.38	Joback Calculated Property
Cp,gas	1514.33	J/mol×K	1149.93	Joback Calculated Property
Cp,gas	1527.37	J/mol×K	1189.49	Joback Calculated Property
Cp,gas	1538.45	J/mol×K	1229.04	Joback Calculated Property
η	[0.0000123; 0.0002711]	Pa×s	[545.60; 991.72]
η	0.0002711	Pa×s	545.60	Joback Calculated Property
η	0.0001189	Pa×s	619.95	Joback Calculated Property
η	0.0000622	Pa×s	694.31	Joback Calculated Property
η	0.0000369	Pa×s	768.66	Joback Calculated Property
η	0.0000240	Pa×s	843.01	Joback Calculated Property
η	0.0000167	Pa×s	917.37	Joback Calculated Property
η	0.0000123	Pa×s	991.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, heptyl 2-(2-methoxyethyl)heptyl ester.

Sources

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

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