Chemical Properties of Sebacic acid, 2,4-dimethylpent-3-yl tetradecyl ester

InChI

InChI=1S/C31H60O4/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-34-29(32)24-21-18-15-16-19-22-25-30(33)35-31(27(2)3)28(4)5/h27-28,31H,6-26H2,1-5H3

InChI Key

KQRQQLMMHHHLBA-UHFFFAOYSA-N

Formula

C31H60O4

SMILES

CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

496.81

• 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	1.3333		Relay (1.0) Calculated Property
ΔfG°	-265.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-1297.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.05	kJ/mol	Joback Calculated Property
ΔvapH°	130.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-8.32		Relay (1.0) Calculated Property
logPoct/wat	9.575		Crippen Calculated Property
McVol	462.530	ml/mol	McGowan Calculated Property
Pc	601.32	kPa	Joback Calculated Property
Inp	[3328.00; 3328.00]
Inp	3328.00		NIST
Inp	3328.00		NIST
Tboil	680.74	K	Relay (1.0) Calculated Property
Tc	856.20	K	Relay (1.0) Calculated Property
Tfus	295.70	K	Relay (1.0) Calculated Property
Vc	1.751	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1671.35; 1777.20]	J/mol×K	[1059.94; 1331.32]
Cp,gas	1671.35	J/mol×K	1059.94	Joback Calculated Property
Cp,gas	1695.27	J/mol×K	1105.17	Joback Calculated Property
Cp,gas	1716.51	J/mol×K	1150.40	Joback Calculated Property
Cp,gas	1735.20	J/mol×K	1195.63	Joback Calculated Property
Cp,gas	1751.46	J/mol×K	1240.86	Joback Calculated Property
Cp,gas	1765.42	J/mol×K	1286.09	Joback Calculated Property
Cp,gas	1777.20	J/mol×K	1331.32	Joback Calculated Property
η	[0.0000073; 0.0003028]	Pa×s	[538.45; 1059.94]
η	0.0003028	Pa×s	538.45	Joback Calculated Property
η	0.0001056	Pa×s	625.37	Joback Calculated Property
η	0.0000477	Pa×s	712.28	Joback Calculated Property
η	0.0000256	Pa×s	799.20	Joback Calculated Property
η	0.0000155	Pa×s	886.11	Joback Calculated Property
η	0.0000103	Pa×s	973.03	Joback Calculated Property
η	0.0000073	Pa×s	1059.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,4-dimethylpent-3-yl tetradecyl ester.

Sources

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

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