Chemical Properties of Sebacic acid, 5-methoxy-3-methylpentyl tridecyl ester

InChI

InChI=1S/C30H58O5/c1-4-5-6-7-8-9-10-11-14-17-20-25-34-29(31)21-18-15-12-13-16-19-22-30(32)35-27-24-28(2)23-26-33-3/h28H,4-27H2,1-3H3

InChI Key

KGKUYFURLXVZIL-UHFFFAOYSA-N

Formula

C30H58O5

SMILES

CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCC(C)CCOC

Molecular Weight¹

498.78

• 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	1.3810		Relay (1.0) Calculated Property
ΔfG°	-373.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1387.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.69	kJ/mol	Joback Calculated Property
ΔvapH°	134.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-7.24		Relay (1.0) Calculated Property
logPoct/wat	8.567		Crippen Calculated Property
McVol	454.310	ml/mol	McGowan Calculated Property
Pc	620.34	kPa	Joback Calculated Property
Inp	[3470.00; 3470.00]
Inp	3470.00		NIST
Inp	3470.00		NIST
Tboil	690.05	K	Relay (1.0) Calculated Property
Tc	859.18	K	Relay (1.0) Calculated Property
Tfus	294.10	K	Relay (1.0) Calculated Property
Vc	1.729	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1635.89; 1731.24]	J/mol×K	[1060.36; 1338.15]
Cp,gas	1635.89	J/mol×K	1060.36	Joback Calculated Property
Cp,gas	1658.96	J/mol×K	1106.66	Joback Calculated Property
Cp,gas	1679.04	J/mol×K	1152.96	Joback Calculated Property
Cp,gas	1696.21	J/mol×K	1199.25	Joback Calculated Property
Cp,gas	1710.56	J/mol×K	1245.55	Joback Calculated Property
Cp,gas	1722.21	J/mol×K	1291.85	Joback Calculated Property
Cp,gas	1731.24	J/mol×K	1338.15	Joback Calculated Property
η	[0.0000076; 0.0001777]	Pa×s	[579.41; 1060.36]
η	0.0001777	Pa×s	579.41	Joback Calculated Property
η	0.0000763	Pa×s	659.57	Joback Calculated Property
η	0.0000393	Pa×s	739.73	Joback Calculated Property
η	0.0000231	Pa×s	819.88	Joback Calculated Property
η	0.0000149	Pa×s	900.04	Joback Calculated Property
η	0.0000103	Pa×s	980.20	Joback Calculated Property
η	0.0000076	Pa×s	1060.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 5-methoxy-3-methylpentyl tridecyl ester.

Sources

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

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