Chemical Properties of Diethylmalonic acid, 3-phenylpropyl tetradecyl ester

InChI

InChI=1S/C30H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-25-33-28(31)30(5-2,6-3)29(32)34-26-21-24-27-22-18-17-19-23-27/h17-19,22-23H,4-16,20-21,24-26H2,1-3H3

InChI Key

UPYCRVKVGHOFDY-UHFFFAOYSA-N

Formula

C30H50O4

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCCc1ccccc1

Molecular Weight¹

474.72

• 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	1.2124		Relay (1.0) Calculated Property
ΔfG°	-150.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1003.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.66	kJ/mol	Joback Calculated Property
ΔvapH°	135.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-7.54		Relay (1.0) Calculated Property
logPoct/wat	8.213		Crippen Calculated Property
McVol	424.680	ml/mol	McGowan Calculated Property
Pc	748.15	kPa	Joback Calculated Property
Inp	[3212.00; 3212.00]
Inp	3212.00		NIST
Inp	3212.00		NIST
Tboil	699.25	K	Relay (1.0) Calculated Property
Tc	902.01	K	Relay (1.0) Calculated Property
Tfus	303.72	K	Relay (1.0) Calculated Property
Vc	1.568	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1497.51; 1589.78]	J/mol×K	[1061.83; 1308.19]
Cp,gas	1497.51	J/mol×K	1061.83	Joback Calculated Property
Cp,gas	1516.73	J/mol×K	1102.89	Joback Calculated Property
Cp,gas	1534.24	J/mol×K	1143.95	Joback Calculated Property
Cp,gas	1550.17	J/mol×K	1185.01	Joback Calculated Property
Cp,gas	1564.65	J/mol×K	1226.07	Joback Calculated Property
Cp,gas	1577.81	J/mol×K	1267.13	Joback Calculated Property
Cp,gas	1589.78	J/mol×K	1308.19	Joback Calculated Property
η	[0.0000088; 0.0001763]	Pa×s	[601.02; 1061.83]
η	0.0001763	Pa×s	601.02	Joback Calculated Property
η	0.0000807	Pa×s	677.82	Joback Calculated Property
η	0.0000433	Pa×s	754.62	Joback Calculated Property
η	0.0000261	Pa×s	831.42	Joback Calculated Property
η	0.0000171	Pa×s	908.23	Joback Calculated Property
η	0.0000120	Pa×s	985.03	Joback Calculated Property
η	0.0000088	Pa×s	1061.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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