Chemical Properties of Diethylmalonic acid, 3-chlorobenzyl hexadecyl ester

InChI

InChI=1S/C30H49ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-28(32)30(5-2,6-3)29(33)35-25-26-21-20-22-27(31)24-26/h20-22,24H,4-19,23,25H2,1-3H3

InChI Key

GFPJKLQNOPTAMA-UHFFFAOYSA-N

Formula

C30H49ClO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Cl)c1

Molecular Weight¹

509.16

• 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	1.2338		Relay (1.0) Calculated Property
ΔfG°	-172.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1041.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.47	kJ/mol	Joback Calculated Property
ΔvapH°	138.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-8.40		Relay (1.0) Calculated Property
logPoct/wat	9.214		Crippen Calculated Property
McVol	436.920	ml/mol	McGowan Calculated Property
Pc	727.31	kPa	Joback Calculated Property
Inp	[3385.00; 3385.00]
Inp	3385.00		NIST
Inp	3385.00		NIST
Tboil	702.80	K	Relay (1.0) Calculated Property
Tc	917.26	K	Relay (1.0) Calculated Property
Tfus	300.15	K	Relay (1.0) Calculated Property
Vc	1.602	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1521.79; 1606.32]	J/mol×K	[1104.24; 1364.90]
Cp,gas	1521.79	J/mol×K	1104.24	Joback Calculated Property
Cp,gas	1539.86	J/mol×K	1147.68	Joback Calculated Property
Cp,gas	1556.13	J/mol×K	1191.13	Joback Calculated Property
Cp,gas	1570.77	J/mol×K	1234.57	Joback Calculated Property
Cp,gas	1583.92	J/mol×K	1278.01	Joback Calculated Property
Cp,gas	1595.72	J/mol×K	1321.46	Joback Calculated Property
Cp,gas	1606.32	J/mol×K	1364.90	Joback Calculated Property
η	[0.0000074; 0.0001184]	Pa×s	[643.46; 1104.24]
η	0.0001184	Pa×s	643.46	Joback Calculated Property
η	0.0000584	Pa×s	720.26	Joback Calculated Property
η	0.0000330	Pa×s	797.05	Joback Calculated Property
η	0.0000206	Pa×s	873.85	Joback Calculated Property
η	0.0000139	Pa×s	950.65	Joback Calculated Property
η	0.0000099	Pa×s	1027.44	Joback Calculated Property
η	0.0000074	Pa×s	1104.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-chlorobenzyl hexadecyl ester.

Sources

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

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