Chemical Properties of Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester (CAS 23470-00-0)

InChI

InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3

InChI Key

BBNYCLAREVXOSG-UHFFFAOYSA-N

Formula

C19H38O4

SMILES

CCCCCCCCCCCCCCCC(=O)OC(CO)CO

Molecular Weight¹

330.50

CAS

23470-00-0

Other Names

• Palmitin, 2-mono-
• Palmitic acid «beta»-monoglyceride
• 2-Hexadecanoyl glycerol
• 2-Monopalmitin
• 2-Monopalmitoyl-sn-glycerol
• Glycerol «beta»-palmitate
• 2-Hydroxy-1-(hydroxymethyl)ethyl palmitate
• Glycerol 2-hexadecanoate
• Glycerol, 2-palmitate
• 2-Monopalmitoylglycerol
• 2-Palmitoylglycerol
• «beta»-Monopalmitin

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2491		Relay (1.0) Calculated Property
ΔcH°solid	[-11685.30; -11666.20]	kJ/mol
ΔcH°solid	-11685.30 ± 2.80	kJ/mol	NIST
ΔcH°solid	-11666.20 ± 2.80	kJ/mol	NIST
ΔfH°gas	-1038.45	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-1239.80; -1222.10]	kJ/mol
ΔfH°solid	-1222.10 ± 3.10	kJ/mol	NIST
ΔfH°solid	-1239.80	kJ/mol	NIST
ΔfusH°	53.99	kJ/mol	Joback Calculated Property
ΔvapH°	131.97	kJ/mol	Relay (1.0) Calculated Property
IE	10.18	eV	Relay (1.0) Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	4.364		Crippen Calculated Property
McVol	297.750	ml/mol	McGowan Calculated Property
Pc	1235.48	kPa	Joback Calculated Property
Inp	[2498.00; 2519.30]
Inp	2519.30		NIST
Inp	2498.00		NIST
Inp	2498.00		NIST
Inp	2498.00		NIST
Inp	2519.30		NIST
Tboil	644.26	K	Relay (1.0) Calculated Property
Tc	837.44	K	Relay (1.0) Calculated Property
Tfus	347.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[558.60; 607.10]	J/mol×K	[298.00; 298.00]
Cp,solid	558.60	J/mol×K	298.00	NIST
Cp,solid	607.10	J/mol×K	298.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[449.57; 1045.55]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.99260e+01
Coefficient B			1.82792e+00
Coefficient C			-9.79200e-04
Coefficient D			1.76900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	449.57	J/mol×K	273.00	Calculated Property
Cp,gas	551.88	J/mol×K	353.78	Calculated Property
Cp,gas	643.86	J/mol×K	434.56	Calculated Property
Cp,gas	726.08	J/mol×K	515.33	Calculated Property
Cp,gas	799.08	J/mol×K	596.11	Calculated Property
Cp,gas	863.44	J/mol×K	676.89	Calculated Property
Cp,gas	919.70	J/mol×K	757.67	Calculated Property
Cp,gas	968.44	J/mol×K	838.44	Calculated Property
Cp,gas	1010.20	J/mol×K	919.22	Calculated Property
Cp,gas	1045.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008913; 0.0000047]	Pa×s	[452.86; 753.13]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.01974e+01
Coefficient B			5.96620e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			452.86
Temperature range, max.			753.13
η	0.0008913	Pa×s	452.86	Calculated Property
η	0.0003609	Pa×s	486.22	Calculated Property
η	0.0001641	Pa×s	519.59	Calculated Property
η	0.0000821	Pa×s	552.95	Calculated Property
η	0.0000444	Pa×s	586.32	Calculated Property
η	0.0000257	Pa×s	619.68	Calculated Property
η	0.0000157	Pa×s	653.04	Calculated Property
η	0.0000101	Pa×s	686.41	Calculated Property
η	0.0000067	Pa×s	719.77	Calculated Property
η	0.0000047	Pa×s	753.13	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester.

Sources

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

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