Chemical Properties of hexyl docosanoate

InChI

InChI=1S/C28H56O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28(29)30-27-25-8-6-4-2/h3-27H2,1-2H3

InChI Key

SZHHTCPIUIMTIX-UHFFFAOYSA-N

Formula

C28H56O2

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCC

Molecular Weight¹

424.75

• 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	1.2560		Relay (1.0) Calculated Property
ΔfH°gas	-937.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.06	kJ/mol	Joback Calculated Property
ΔvapH°	130.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.91	eV	Relay (1.0) Calculated Property
log10WS	-9.16		Relay (1.0) Calculated Property
logPoct/wat	9.932		Crippen Calculated Property
McVol	412.820	ml/mol	McGowan Calculated Property
Pc	671.16	kPa	Joback Calculated Property
Inp	[2966.35; 2966.35]
Inp	2966.35		NIST
Inp	2966.35		NIST
Tboil	644.64	K	Relay (1.0) Calculated Property
Tc	830.25	K	Relay (1.0) Calculated Property
Tfus	315.52	K	Relay (1.0) Calculated Property
Vc	1.628	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	[1416.23; 1540.54]	J/mol×K	[916.33; 1129.21]
Cp,gas	1416.23	J/mol×K	916.33	Joback Calculated Property
Cp,gas	1440.70	J/mol×K	951.81	Joback Calculated Property
Cp,gas	1463.57	J/mol×K	987.29	Joback Calculated Property
Cp,gas	1484.93	J/mol×K	1022.77	Joback Calculated Property
Cp,gas	1504.83	J/mol×K	1058.25	Joback Calculated Property
Cp,gas	1523.34	J/mol×K	1093.73	Joback Calculated Property
Cp,gas	1540.54	J/mol×K	1129.21	Joback Calculated Property
η	[0.0000230; 0.0006385]	Pa×s	[477.48; 916.33]
η	0.0006385	Pa×s	477.48	Joback Calculated Property
η	0.0002539	Pa×s	550.62	Joback Calculated Property
η	0.0001253	Pa×s	623.76	Joback Calculated Property
η	0.0000717	Pa×s	696.90	Joback Calculated Property
η	0.0000457	Pa×s	770.05	Joback Calculated Property
η	0.0000314	Pa×s	843.19	Joback Calculated Property
η	0.0000230	Pa×s	916.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to hexyl 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.