Chemical Properties of Dimethylmalonic acid, 3-methylbutyl tridecyl ester

InChI

InChI=1S/C23H44O4/c1-6-7-8-9-10-11-12-13-14-15-16-18-26-21(24)23(4,5)22(25)27-19-17-20(2)3/h20H,6-19H2,1-5H3

InChI Key

NQTZBGBWCGQGDS-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCCC(C)C

Molecular Weight¹

384.59

• 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	1.0224		Relay (1.0) Calculated Property
ΔfG°	-324.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-1142.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.96	kJ/mol	Joback Calculated Property
ΔvapH°	101.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-6.35		Relay (1.0) Calculated Property
logPoct/wat	6.456		Crippen Calculated Property
McVol	349.810	ml/mol	McGowan Calculated Property
Pc	914.39	kPa	Joback Calculated Property
Inp	[2383.00; 2383.00]
Inp	2383.00		NIST
Inp	2383.00		NIST
Tboil	608.68	K	Relay (1.0) Calculated Property
Tc	796.66	K	Relay (1.0) Calculated Property
Tfus	270.47	K	Relay (1.0) Calculated Property
Vc	1.346	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1155.24; 1253.82]	J/mol×K	[874.55; 1070.98]
Cp,gas	1155.24	J/mol×K	874.55	Joback Calculated Property
Cp,gas	1174.64	J/mol×K	907.29	Joback Calculated Property
Cp,gas	1192.79	J/mol×K	940.03	Joback Calculated Property
Cp,gas	1209.75	J/mol×K	972.76	Joback Calculated Property
Cp,gas	1225.54	J/mol×K	1005.50	Joback Calculated Property
Cp,gas	1240.21	J/mol×K	1038.24	Joback Calculated Property
Cp,gas	1253.82	J/mol×K	1070.98	Joback Calculated Property
η	[0.0000245; 0.0006448]	Pa×s	[480.71; 874.55]
η	0.0006448	Pa×s	480.71	Joback Calculated Property
η	0.0002695	Pa×s	546.35	Joback Calculated Property
η	0.0001358	Pa×s	611.99	Joback Calculated Property
η	0.0000781	Pa×s	677.63	Joback Calculated Property
η	0.0000496	Pa×s	743.27	Joback Calculated Property
η	0.0000339	Pa×s	808.91	Joback Calculated Property
η	0.0000245	Pa×s	874.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 3-methylbutyl tridecyl ester.

Sources

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

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