Chemical Properties of Diethylmalonic acid, heptadecyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C32H62O4/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35-29(33)32(9-2,10-3)30(34)36-27-28(4)26-31(5,6)7/h28H,8-27H2,1-7H3

InChI Key

LBCYZAPGDKWPNV-UHFFFAOYSA-N

Formula

C32H62O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

510.83

• 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).
• 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
ΔfG°	-246.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1216.19	kJ/mol	Joback Calculated Property
ΔfusH°	65.86	kJ/mol	Joback Calculated Property
ΔvapH°	102.16	kJ/mol	Joback Calculated Property
log10WS	-10.22		Crippen Calculated Property
logPoct/wat	9.823		Crippen Calculated Property
McVol	476.620	ml/mol	McGowan Calculated Property
Pc	580.08	kPa	Joback Calculated Property
Inp	[3136.00; 3136.00]
Inp	3136.00		NIST
Inp	3136.00		NIST
Tboil	1077.24	K	Joback Calculated Property
Tc	1348.31	K	Joback Calculated Property
Tfus	584.56	K	Joback Calculated Property
Vc	1.847	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1736.49; 1858.26]	J/mol×K	[1077.24; 1348.31]
Cp,gas	1736.49	J/mol×K	1077.24	Joback Calculated Property
Cp,gas	1761.25	J/mol×K	1122.42	Joback Calculated Property
Cp,gas	1783.94	J/mol×K	1167.60	Joback Calculated Property
Cp,gas	1804.78	J/mol×K	1212.77	Joback Calculated Property
Cp,gas	1823.97	J/mol×K	1257.95	Joback Calculated Property
Cp,gas	1841.72	J/mol×K	1303.13	Joback Calculated Property
Cp,gas	1858.26	J/mol×K	1348.31	Joback Calculated Property
η	[0.0000041; 0.0001482]	Pa×s	[584.56; 1077.24]
η	0.0001482	Pa×s	584.56	Joback Calculated Property
η	0.0000565	Pa×s	666.67	Joback Calculated Property
η	0.0000266	Pa×s	748.79	Joback Calculated Property
η	0.0000145	Pa×s	830.90	Joback Calculated Property
η	0.0000089	Pa×s	913.01	Joback Calculated Property
η	0.0000059	Pa×s	995.13	Joback Calculated Property
η	0.0000041	Pa×s	1077.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptadecyl 2,4,4-trimethylpentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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