Chemical Properties of hexyl tetracosanoate

InChI

InChI=1S/C30H60O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30(31)32-29-27-8-6-4-2/h3-29H2,1-2H3

InChI Key

MSAXLBRULWLEJE-UHFFFAOYSA-N

Formula

C30H60O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCC

Molecular Weight¹

452.80

• 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	1.3261		Relay (1.0) Calculated Property
ΔfH°gas	-978.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.24	kJ/mol	Joback Calculated Property
ΔvapH°	139.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
log10WS	-9.72		Relay (1.0) Calculated Property
logPoct/wat	10.712		Crippen Calculated Property
McVol	441.000	ml/mol	McGowan Calculated Property
Pc	609.06	kPa	Joback Calculated Property
Inp	[3167.10; 3167.10]
Inp	3167.10		NIST
Inp	3167.10		NIST
Tboil	657.09	K	Relay (1.0) Calculated Property
Tc	842.51	K	Relay (1.0) Calculated Property
Tfus	319.89	K	Relay (1.0) Calculated Property
Vc	1.738	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	[1548.95; 1680.03]	J/mol×K	[962.09; 1195.84]
Cp,gas	1548.95	J/mol×K	962.09	Joback Calculated Property
Cp,gas	1575.26	J/mol×K	1001.05	Joback Calculated Property
Cp,gas	1599.65	J/mol×K	1040.01	Joback Calculated Property
Cp,gas	1622.22	J/mol×K	1078.97	Joback Calculated Property
Cp,gas	1643.07	J/mol×K	1117.92	Joback Calculated Property
Cp,gas	1662.31	J/mol×K	1156.88	Joback Calculated Property
Cp,gas	1680.03	J/mol×K	1195.84	Joback Calculated Property
η	[0.0000168; 0.0004872]	Pa×s	[500.02; 962.09]
η	0.0004872	Pa×s	500.02	Joback Calculated Property
η	0.0001913	Pa×s	577.03	Joback Calculated Property
η	0.0000936	Pa×s	654.04	Joback Calculated Property
η	0.0000532	Pa×s	731.06	Joback Calculated Property
η	0.0000337	Pa×s	808.07	Joback Calculated Property
η	0.0000231	Pa×s	885.08	Joback Calculated Property
η	0.0000168	Pa×s	962.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to hexyl tetracosanoate.

Sources

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

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