Chemical Properties of Sebacic acid, decyl 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C26H50O5/c1-4-5-6-7-8-11-14-17-21-30-25(27)18-15-12-9-10-13-16-19-26(28)31-23-24(2)20-22-29-3/h24H,4-23H2,1-3H3

InChI Key

DYTSAJSCAHJFKB-UHFFFAOYSA-N

Formula

C26H50O5

SMILES

CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(C)CCOC

Molecular Weight¹

442.67

Other Names

• Sebacic acid, decyl 4-methoxy-2-methylphenyl ester

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1314.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.50	kJ/mol	Joback Calculated Property
ΔvapH°	120.38	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.97		Relay (1.0) Calculated Property
logPoct/wat	7.007		Crippen Calculated Property
McVol	397.950	ml/mol	McGowan Calculated Property
Pc	725.35	kPa	Joback Calculated Property
Inp	[3056.00; 3056.00]
Inp	3056.00		NIST
Inp	3056.00		NIST
Tboil	665.91	K	Relay (1.0) Calculated Property
Tc	835.98	K	Relay (1.0) Calculated Property
Tfus	272.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1358.78; 1455.88]	J/mol×K	[932.90; 1148.48]
Cp,gas	1358.78	J/mol×K	932.90	Joback Calculated Property
Cp,gas	1379.49	J/mol×K	968.83	Joback Calculated Property
Cp,gas	1398.34	J/mol×K	1004.76	Joback Calculated Property
Cp,gas	1415.37	J/mol×K	1040.69	Joback Calculated Property
Cp,gas	1430.61	J/mol×K	1076.62	Joback Calculated Property
Cp,gas	1444.11	J/mol×K	1112.55	Joback Calculated Property
Cp,gas	1455.88	J/mol×K	1148.48	Joback Calculated Property
η	[0.0000110; 0.0005072]	Pa×s	[474.67; 932.90]
η	0.0005072	Pa×s	474.67	Joback Calculated Property
η	0.0001723	Pa×s	551.04	Joback Calculated Property
η	0.0000761	Pa×s	627.41	Joback Calculated Property
η	0.0000402	Pa×s	703.79	Joback Calculated Property
η	0.0000240	Pa×s	780.16	Joback Calculated Property
η	0.0000157	Pa×s	856.53	Joback Calculated Property
η	0.0000110	Pa×s	932.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, decyl 4-methoxy-2-methylbutyl ester.

Sources

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

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