Chemical Properties of Glutaric acid, 2,4-dimethylpent-3-yl hexadecyl ester

InChI

InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-26(29)21-20-22-27(30)32-28(24(2)3)25(4)5/h24-25,28H,6-23H2,1-5H3

InChI Key

MKEGGCNJFPAQRF-UHFFFAOYSA-N

Formula

C28H54O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

454.73

• 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	1.2258		Relay (... Calculated Property
ΔfG°	-290.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1238.80	kJ/mol	Relay (... Calculated Property
ΔfusH°	63.28	kJ/mol	Joback Calculated Property
ΔvapH°	119.85	kJ/mol	Relay (... Calculated Property
IE	9.65	eV	Relay (... Calculated Property
log10WS	-7.49		Relay (... Calculated Property
logPoct/wat	8.405		Crippen Calculated Property
McVol	420.260	ml/mol	McGowan Calculated Property
Pc	696.18	kPa	Joback Calculated Property
Inp	[3079.00; 3079.00]
Inp	3079.00		NIST
Inp	3079.00		NIST
Tboil	665.48	K	Relay (... Calculated Property
Tc	838.13	K	Relay (... Calculated Property
Tfus	287.27	K	Relay (... Calculated Property
Vc	1.586	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1475.44; 1578.90]	J/mol×K	[991.30; 1224.98]
Cp,gas	1475.44	J/mol×K	991.30	Joback Calculated Property
Cp,gas	1497.42	J/mol×K	1030.25	Joback Calculated Property
Cp,gas	1517.40	J/mol×K	1069.19	Joback Calculated Property
Cp,gas	1535.48	J/mol×K	1108.14	Joback Calculated Property
Cp,gas	1551.71	J/mol×K	1147.09	Joback Calculated Property
Cp,gas	1566.16	J/mol×K	1186.03	Joback Calculated Property
Cp,gas	1578.90	J/mol×K	1224.98	Joback Calculated Property
η	[0.0000119; 0.0004778]	Pa×s	[504.64; 991.30]
η	0.0004778	Pa×s	504.64	Joback Calculated Property
η	0.0001686	Pa×s	585.75	Joback Calculated Property
η	0.0000766	Pa×s	666.86	Joback Calculated Property
η	0.0000413	Pa×s	747.97	Joback Calculated Property
η	0.0000252	Pa×s	829.08	Joback Calculated Property
η	0.0000167	Pa×s	910.19	Joback Calculated Property
η	0.0000119	Pa×s	991.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4-dimethylpent-3-yl hexadecyl ester.

Sources

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

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