Chemical Properties of Diethylmalonic acid, monochloride, hexadecyl ester

InChI

InChI=1S/C23H43ClO3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-22(26)23(5-2,6-3)21(24)25/h4-20H2,1-3H3

InChI Key

RPVMNBGMWRQOID-UHFFFAOYSA-N

Formula

C23H43ClO3

SMILES

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

Molecular Weight¹

403.04

• 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	1.0203		Relay (... Calculated Property
ΔfG°	-229.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-950.66	kJ/mol	Relay (... Calculated Property
ΔfusH°	56.49	kJ/mol	Joback Calculated Property
ΔvapH°	107.11	kJ/mol	Relay (... Calculated Property
IE	9.54	eV	Relay (... Calculated Property
log10WS	-7.37		Relay (... Calculated Property
logPoct/wat	7.583		Crippen Calculated Property
McVol	356.180	ml/mol	McGowan Calculated Property
Pc	899.10	kPa	Joback Calculated Property
Inp	[2595.00; 2595.00]
Inp	2595.00		NIST
Inp	2595.00		NIST
Tboil	616.39	K	Relay (... Calculated Property
Tc	820.73	K	Relay (... Calculated Property
Tfus	314.37	K	Relay (... Calculated Property
Vc	1.320	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1154.42; 1250.99]	J/mol×K	[890.00; 1089.72]
Cp,gas	1154.42	J/mol×K	890.00	Joback Calculated Property
Cp,gas	1173.21	J/mol×K	923.29	Joback Calculated Property
Cp,gas	1190.84	J/mol×K	956.57	Joback Calculated Property
Cp,gas	1207.37	J/mol×K	989.86	Joback Calculated Property
Cp,gas	1222.86	J/mol×K	1023.14	Joback Calculated Property
Cp,gas	1237.38	J/mol×K	1056.43	Joback Calculated Property
Cp,gas	1250.99	J/mol×K	1089.72	Joback Calculated Property
η	[0.0000304; 0.0006246]	Pa×s	[503.40; 890.00]
η	0.0006246	Pa×s	503.40	Joback Calculated Property
η	0.0002836	Pa×s	567.83	Joback Calculated Property
η	0.0001513	Pa×s	632.27	Joback Calculated Property
η	0.0000906	Pa×s	696.70	Joback Calculated Property
η	0.0000592	Pa×s	761.13	Joback Calculated Property
η	0.0000413	Pa×s	825.57	Joback Calculated Property
η	0.0000304	Pa×s	890.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, hexadecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.