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°	-184.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-791.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.51	kJ/mol	Joback Calculated Property
ΔvapH°	106.54	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	959.10	kPa	Joback Calculated Property
Inp	[2262.00; 2291.00]
Inp	2285.00		NIST
Inp	2285.00		NIST
Inp	2278.00		NIST
Inp	2281.00		NIST
Inp	Outlier 2262.00		NIST
Inp	2291.00		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	782.89	K	Relay (1.0) Calculated Property
Tfus	302.58	K	Relay (1.0) Calculated Property
Vc	1.243	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[959.41; 1066.48]	J/mol×K	[738.30; 908.73]
Cp,gas	959.41	J/mol×K	738.30	Joback Calculated Property
Cp,gas	979.62	J/mol×K	766.71	Joback Calculated Property
Cp,gas	998.85	J/mol×K	795.11	Joback Calculated Property
Cp,gas	1017.12	J/mol×K	823.52	Joback Calculated Property
Cp,gas	1034.47	J/mol×K	851.92	Joback Calculated Property
Cp,gas	1050.92	J/mol×K	880.33	Joback Calculated Property
Cp,gas	1066.48	J/mol×K	908.73	Joback Calculated Property
η	[0.0000570; 0.0021582]	Pa×s	[368.76; 738.30]
η	0.0021582	Pa×s	368.76	Joback Calculated Property
η	0.0007635	Pa×s	430.35	Joback Calculated Property
η	0.0003503	Pa×s	491.94	Joback Calculated Property
η	0.0001912	Pa×s	553.53	Joback Calculated Property
η	0.0001178	Pa×s	615.12	Joback Calculated Property
η	0.0000793	Pa×s	676.71	Joback Calculated Property
η	0.0000570	Pa×s	738.30	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

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