Chemical Properties of dodecyl docosanoate

InChI

InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34(35)36-33-31-29-27-25-14-12-10-8-6-4-2/h3-33H2,1-2H3

InChI Key

IFLDFHHUUCVKNJ-UHFFFAOYSA-N

Formula

C34H68O2

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC

Molecular Weight¹

508.92

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.4663		Relay (1.0) Calculated Property
ΔfH°gas	-1060.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	86.60	kJ/mol	Joback Calculated Property
ΔvapH°	157.96	kJ/mol	Relay (1.0) Calculated Property
IE	10.12	eV	Relay (1.0) Calculated Property
log10WS	-10.82		Relay (1.0) Calculated Property
logPoct/wat	12.272		Crippen Calculated Property
McVol	497.360	ml/mol	McGowan Calculated Property
Pc	508.18	kPa	Joback Calculated Property
Inp	[3550.68; 3550.68]
Inp	3550.68		NIST
Inp	3550.68		NIST
Tboil	682.15	K	Relay (1.0) Calculated Property
Tc	865.19	K	Relay (1.0) Calculated Property
Tfus	327.22	K	Relay (1.0) Calculated Property
Vc	1.957	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1818.58; 1966.09]	J/mol×K	[1053.61; 1347.22]
Cp,gas	1818.58	J/mol×K	1053.61	Joback Calculated Property
Cp,gas	1849.65	J/mol×K	1102.55	Joback Calculated Property
Cp,gas	1877.82	J/mol×K	1151.48	Joback Calculated Property
Cp,gas	1903.31	J/mol×K	1200.42	Joback Calculated Property
Cp,gas	1926.37	J/mol×K	1249.35	Joback Calculated Property
Cp,gas	1947.21	J/mol×K	1298.29	Joback Calculated Property
Cp,gas	1966.09	J/mol×K	1347.22	Joback Calculated Property
η	[0.0000089; 0.0002762]	Pa×s	[545.10; 1053.61]
η	0.0002762	Pa×s	545.10	Joback Calculated Property
η	0.0001060	Pa×s	629.85	Joback Calculated Property
η	0.0000510	Pa×s	714.60	Joback Calculated Property
η	0.0000287	Pa×s	799.36	Joback Calculated Property
η	0.0000180	Pa×s	884.11	Joback Calculated Property
η	0.0000123	Pa×s	968.86	Joback Calculated Property
η	0.0000089	Pa×s	1053.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to dodecyl docosanoate.

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.