Chemical Properties of Heneicosanoic acid, propyl ester

InChI

InChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-4-2/h3-23H2,1-2H3

InChI Key

GCBCYZQOJQCROH-UHFFFAOYSA-N

Formula

C24H48O2

SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OCCC

Molecular Weight¹

368.65

Other Names

• Propyl heneicosanoate

• 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	1.1132		Relay (1.0) Calculated Property
ΔfH°gas	-857.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.70	kJ/mol	Joback Calculated Property
ΔvapH°	115.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-8.14		Relay (1.0) Calculated Property
logPoct/wat	8.371		Crippen Calculated Property
McVol	356.460	ml/mol	McGowan Calculated Property
Pc	827.64	kPa	Joback Calculated Property
Inp	[2573.00; 2573.00]
Inp	2573.00		NIST
Inp	2573.00		NIST
Tboil	620.32	K	Relay (1.0) Calculated Property
Tc	801.74	K	Relay (1.0) Calculated Property
Tfus	314.02	K	Relay (1.0) Calculated Property
Vc	1.407	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	[1156.81; 1270.08]	J/mol×K	[824.81; 1009.81]
Cp,gas	1156.81	J/mol×K	824.81	Joback Calculated Property
Cp,gas	1178.47	J/mol×K	855.64	Joback Calculated Property
Cp,gas	1198.97	J/mol×K	886.48	Joback Calculated Property
Cp,gas	1218.34	J/mol×K	917.31	Joback Calculated Property
Cp,gas	1236.63	J/mol×K	948.14	Joback Calculated Property
Cp,gas	1253.86	J/mol×K	978.97	Joback Calculated Property
Cp,gas	1270.08	J/mol×K	1009.81	Joback Calculated Property
η	[0.0000418; 0.0010603]	Pa×s	[432.40; 824.81]
η	0.0010603	Pa×s	432.40	Joback Calculated Property
η	0.0004342	Pa×s	497.80	Joback Calculated Property
η	0.0002188	Pa×s	563.20	Joback Calculated Property
η	0.0001271	Pa×s	628.61	Joback Calculated Property
η	0.0000818	Pa×s	694.01	Joback Calculated Property
η	0.0000568	Pa×s	759.41	Joback Calculated Property
η	0.0000418	Pa×s	824.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heneicosanoic acid, propyl 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.