Chemical Properties of Propanoic acid, octadecyl ester

InChI

InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h3-20H2,1-2H3

InChI Key

YTXCAJNHPVBVDJ-UHFFFAOYSA-N

Formula

C21H42O2

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC

Molecular Weight¹

326.56

Other Names

• Octadecyl propionate

• 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.
• I : 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	1.0060		Relay (1.0) Calculated Property
ΔfG°	-107.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-791.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.93	kJ/mol	Joback Calculated Property
ΔvapH°	104.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
log10WS	-7.20		Relay (1.0) Calculated Property
logPoct/wat	7.201		Crippen Calculated Property
McVol	314.190	ml/mol	McGowan Calculated Property
Pc	983.93	kPa	Joback Calculated Property
Inp	[2262.00; 2291.00]
Inp	2285.00		NIST
Inp	2278.00		NIST
Inp	2278.00		NIST
Inp	2281.00		NIST
Inp	Outlier 2262.00		NIST
Inp	2291.00		NIST
Inp	2285.00		NIST
Inp	2291.00		NIST
I	[2550.00; 2577.00]
I	2550.00		NIST
I	2570.00		NIST
I	2574.00		NIST
I	2577.00		NIST
I	2560.00		NIST
I	2550.00		NIST
Tboil	596.47	K	Relay (1.0) Calculated Property
Tc	779.70	K	Relay (1.0) Calculated Property
Tfus	306.08	K	Relay (1.0) Calculated Property
Vc	1.241	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[969.32; 1075.99]	J/mol×K	[756.17; 929.77]
Cp,gas	969.32	J/mol×K	756.17	Joback Calculated Property
Cp,gas	989.43	J/mol×K	785.10	Joback Calculated Property
Cp,gas	1008.57	J/mol×K	814.04	Joback Calculated Property
Cp,gas	1026.77	J/mol×K	842.97	Joback Calculated Property
Cp,gas	1044.06	J/mol×K	871.90	Joback Calculated Property
Cp,gas	1060.46	J/mol×K	900.83	Joback Calculated Property
Cp,gas	1075.99	J/mol×K	929.77	Joback Calculated Property
η	[0.0000640; 0.0014949]	Pa×s	[398.59; 756.17]
η	0.0014949	Pa×s	398.59	Joback Calculated Property
η	0.0006283	Pa×s	458.19	Joback Calculated Property
η	0.0003224	Pa×s	517.78	Joback Calculated Property
η	0.0001899	Pa×s	577.38	Joback Calculated Property
η	0.0001235	Pa×s	636.98	Joback Calculated Property
η	0.0000864	Pa×s	696.57	Joback Calculated Property
η	0.0000640	Pa×s	756.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, octadecyl 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.