Chemical Properties of Diethylmalonic acid, 3,7-dimethyloctyl tetradecyl ester

InChI

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

InChI Key

ABGPBEHBSBTUBP-UHFFFAOYSA-N

Formula

C31H60O4

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCC(C)CCCC(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	1.2382		Relay (1.0) Calculated Property
ΔfG°	-259.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1293.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.16	kJ/mol	Joback Calculated Property
ΔvapH°	129.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-8.46		Relay (1.0) Calculated Property
logPoct/wat	9.433		Crippen Calculated Property
McVol	462.530	ml/mol	McGowan Calculated Property
Pc	604.58	kPa	Joback Calculated Property
Inp	[3020.00; 3020.00]
Inp	3020.00		NIST
Inp	3020.00		NIST
Tboil	672.99	K	Relay (1.0) Calculated Property
Tc	856.90	K	Relay (1.0) Calculated Property
Tfus	280.36	K	Relay (1.0) Calculated Property
Vc	1.727	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1670.88; 1783.08]	J/mol×K	[1057.15; 1321.25]
Cp,gas	1670.88	J/mol×K	1057.15	Joback Calculated Property
Cp,gas	1694.76	J/mol×K	1101.17	Joback Calculated Property
Cp,gas	1716.36	J/mol×K	1145.18	Joback Calculated Property
Cp,gas	1735.83	J/mol×K	1189.20	Joback Calculated Property
Cp,gas	1753.35	J/mol×K	1233.22	Joback Calculated Property
Cp,gas	1769.04	J/mol×K	1277.23	Joback Calculated Property
Cp,gas	1783.08	J/mol×K	1321.25	Joback Calculated Property
η	[0.0000060; 0.0002305]	Pa×s	[555.87; 1057.15]
η	0.0002305	Pa×s	555.87	Joback Calculated Property
η	0.0000842	Pa×s	639.42	Joback Calculated Property
η	0.0000389	Pa×s	722.96	Joback Calculated Property
η	0.0000210	Pa×s	806.51	Joback Calculated Property
η	0.0000128	Pa×s	890.06	Joback Calculated Property
η	0.0000085	Pa×s	973.60	Joback Calculated Property
η	0.0000060	Pa×s	1057.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3,7-dimethyloctyl tetradecyl ester.

Sources

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

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