Chemical Properties of Propanoic acid, hexadecyl ester (CAS 6221-96-1)

InChI

InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h3-18H2,1-2H3

InChI Key

RSRQBSGZMPVCOI-UHFFFAOYSA-N

Formula

C19H38O2

SMILES

CCCCCCCCCCCCCCCCOC(=O)CC

Molecular Weight¹

298.50

CAS

6221-96-1

Other Names

• 1-Hexadecanol, propanoate
• Hexadecyl propionate
• propionic acid, hexadecyl ester

• 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).
• 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
ΔfG°	-124.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-680.29	kJ/mol	Joback Calculated Property
ΔfusH°	47.75	kJ/mol	Joback Calculated Property
ΔvapH°	67.04	kJ/mol	Joback Calculated Property
log10WS	-6.64		Crippen Calculated Property
logPoct/wat	6.421		Crippen Calculated Property
McVol	286.010	ml/mol	McGowan Calculated Property
Pc	1114.08	kPa	Joback Calculated Property
Inp	[2068.00; 2088.00]
Inp	2079.00		NIST
Inp	2085.00		NIST
Inp	2081.00		NIST
Inp	2079.00		NIST
Inp	2081.00		NIST
Inp	2084.00		NIST
Inp	Outlier 2068.00		NIST
Inp	2088.00		NIST
Inp	2088.00		NIST
I	[2350.00; 2375.00]
I	2350.00		NIST
I	2352.00		NIST
I	2367.00		NIST
I	2370.00		NIST
I	2375.00		NIST
I	2370.00		NIST
Tboil	710.41	K	Joback Calculated Property
Tc	879.90	K	Joback Calculated Property
Tfus	376.05	K	Joback Calculated Property
Vc	1.123	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[848.69; 951.34]	J/mol×K	[710.41; 879.90]
Cp,gas	848.69	J/mol×K	710.41	Joback Calculated Property
Cp,gas	867.91	J/mol×K	738.66	Joback Calculated Property
Cp,gas	886.25	J/mol×K	766.91	Joback Calculated Property
Cp,gas	903.75	J/mol×K	795.15	Joback Calculated Property
Cp,gas	920.41	J/mol×K	823.40	Joback Calculated Property
Cp,gas	936.27	J/mol×K	851.65	Joback Calculated Property
Cp,gas	951.34	J/mol×K	879.90	Joback Calculated Property
η	[0.0000838; 0.0018384]	Pa×s	[376.05; 710.41]
η	0.0018384	Pa×s	376.05	Joback Calculated Property
η	0.0007881	Pa×s	431.78	Joback Calculated Property
η	0.0004101	Pa×s	487.50	Joback Calculated Property
η	0.0002440	Pa×s	543.23	Joback Calculated Property
η	0.0001599	Pa×s	598.96	Joback Calculated Property
η	0.0001126	Pa×s	654.68	Joback Calculated Property
η	0.0000838	Pa×s	710.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, hexadecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.