Chemical Properties of Hexadecanal (CAS 629-80-1)

InChI

InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3

InChI Key

NIOYUNMRJMEDGI-UHFFFAOYSA-N

Formula

C16H32O

SMILES

CCCCCCCCCCCCCCCC=O

Molecular Weight¹

240.42

CAS

629-80-1

Other Names

• 1-Hexadecanal
• Palmitaldehyde
• n-Hexadecanal

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	-15.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-459.15	kJ/mol	Joback Calculated Property
ΔfusH°	39.48	kJ/mol	Joback Calculated Property
ΔvapH°	89.70	kJ/mol	NIST
log10WS	-5.80		Crippen Calculated Property
logPoct/wat	5.667		Crippen Calculated Property
McVol	237.870	ml/mol	McGowan Calculated Property
Pc	1392.29	kPa	Joback Calculated Property
Inp	[1761.00; 1844.00]
Inp	1820.00		NIST
Inp	1811.00		NIST
Inp	1830.00		NIST
Inp	1831.00		NIST
Inp	1795.00		NIST
Inp	1796.00		NIST
Inp	1784.00		NIST
Inp	1785.00		NIST
Inp	1807.00		NIST
Inp	1812.00		NIST
Inp	1812.00		NIST
Inp	1818.00		NIST
Inp	1817.00		NIST
Inp	1835.00		NIST
Inp	1795.00		NIST
Inp	1811.00		NIST
Inp	1822.00		NIST
Inp	1782.00		NIST
Inp	1815.00		NIST
Inp	1811.00		NIST
Inp	1815.00		NIST
Inp	1793.00		NIST
Inp	1793.00		NIST
Inp	1796.00		NIST
Inp	1795.00		NIST
Inp	1795.00		NIST
Inp	1819.00		NIST
Inp	1817.00		NIST
Inp	1811.00		NIST
Inp	1818.00		NIST
Inp	1796.00		NIST
Inp	Outlier 1761.00		NIST
Inp	1825.00		NIST
Inp	1817.00		NIST
Inp	1817.00		NIST
Inp	1819.00		NIST
Inp	1821.00		NIST
Inp	1794.00		NIST
Inp	1794.00		NIST
Inp	1811.00		NIST
Inp	1808.00		NIST
Inp	1808.00		NIST
Inp	1818.00		NIST
Inp	1825.00		NIST
Inp	1798.00		NIST
Inp	1814.00		NIST
Inp	1782.00		NIST
Inp	1814.00		NIST
Inp	Outlier 1844.00		NIST
Inp	1818.00		NIST
Inp	1818.00		NIST
Inp	1800.00		NIST
Inp	1811.00		NIST
Inp	1807.00		NIST
Inp	1815.00		NIST
Inp	1810.00		NIST
Inp	1811.00		NIST
Inp	1811.00		NIST
Inp	1813.00		NIST
Inp	1811.00		NIST
Inp	1814.00		NIST
Inp	1789.00		NIST
Inp	1826.00		NIST
Inp	1792.00		NIST
Inp	1792.00		NIST
Inp	1794.00		NIST
Inp	1820.00		NIST
Inp	1822.00		NIST
Inp	1816.00		NIST
Inp	1794.00		NIST
Inp	1794.00		NIST
Inp	1811.00		NIST
Inp	1795.00		NIST
Inp	1794.00		NIST
Inp	1794.00		NIST
Inp	1794.00		NIST
Inp	1794.00		NIST
Inp	1797.00		NIST
Inp	1819.00		NIST
Inp	1796.00		NIST
Inp	1815.00		NIST
Inp	1826.00		NIST
Inp	1800.00		NIST
Inp	1820.00		NIST
Inp	1826.00		NIST
Inp	1787.00		NIST
Inp	1816.00		NIST
Inp	1800.00		NIST
Inp	1827.00		NIST
Inp	1830.00		NIST
Inp	1816.00		NIST
Inp	1814.00		NIST
Inp	1819.00		NIST
Inp	1811.00		NIST
Inp	1798.00		NIST
Inp	1819.00		NIST
Inp	1794.00		NIST
Inp	1830.00		NIST
Inp	1828.00		NIST
Inp	1794.00		NIST
Inp	1815.00		NIST
Inp	1787.00		NIST
Inp	1816.00		NIST
Inp	1819.00		NIST
Inp	1820.00		NIST
Inp	1796.00		NIST
Inp	1835.00		NIST
Inp	1811.00		NIST
Inp	1817.00		NIST
Inp	1794.00		NIST
Inp	1825.00		NIST
I	[2094.00; 2164.00]
I	2119.00		NIST
I	2132.00		NIST
I	2146.00		NIST
I	2153.00		NIST
I	2153.00		NIST
I	2154.00		NIST
I	2164.00		NIST
I	2094.00		NIST
I	2124.00		NIST
I	2123.00		NIST
I	2120.00		NIST
I	2109.00		NIST
I	2137.00		NIST
I	2137.00		NIST
I	2154.00		NIST
I	2108.00		NIST
I	2121.00		NIST
I	2098.00		NIST
I	2141.00		NIST
I	2100.00		NIST
I	2135.00		NIST
I	2135.00		NIST
I	2143.00		NIST
I	2119.00		NIST
I	2154.00		NIST
I	2120.00		NIST
Tboil	614.14	K	Joback Calculated Property
Tc	778.10	K	Joback Calculated Property
Tfus	[303.00; 331.70]	K
Tfus	309.00 ± 4.00	K	NIST
Tfus	308.00 ± 4.00	K	NIST
Tfus	303.00 ± 8.00	K	NIST
Tfus	307.00 ± 3.00	K	NIST
Tfus	307.00 ± 3.00	K	NIST
Tfus	Outlier 331.70 ± 20.00	K	NIST
Tfus	320.00 ± 4.00	K	NIST
Vc	0.949	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[644.27; 740.69]	J/mol×K	[614.14; 778.10]
Cp,gas	644.27	J/mol×K	614.14	Joback Calculated Property
Cp,gas	662.13	J/mol×K	641.47	Joback Calculated Property
Cp,gas	679.25	J/mol×K	668.79	Joback Calculated Property
Cp,gas	695.64	J/mol×K	696.12	Joback Calculated Property
Cp,gas	711.33	J/mol×K	723.45	Joback Calculated Property
Cp,gas	726.34	J/mol×K	750.77	Joback Calculated Property
Cp,gas	740.69	J/mol×K	778.10	Joback Calculated Property
η	[0.0001725; 0.0040946]	Pa×s	[312.08; 614.14]
η	0.0040946	Pa×s	312.08	Joback Calculated Property
η	0.0016739	Pa×s	362.42	Joback Calculated Property
η	0.0008512	Pa×s	412.77	Joback Calculated Property
η	0.0005014	Pa×s	463.11	Joback Calculated Property
η	0.0003276	Pa×s	513.45	Joback Calculated Property
η	0.0002310	Pa×s	563.80	Joback Calculated Property
η	0.0001725	Pa×s	614.14	Joback Calculated Property
ΔvapH	67.60	kJ/mol	494.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[449.82; 629.32]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50033e+01
Coefficient B			-5.09569e+03
Coefficient C			-1.03544e+02
Temperature range, min.			449.82
Temperature range, max.			629.32
Pvap	1.33	kPa	449.82	Calculated Property
Pvap	2.97	kPa	469.76	Calculated Property
Pvap	6.10	kPa	489.71	Calculated Property
Pvap	11.65	kPa	509.65	Calculated Property
Pvap	20.97	kPa	529.60	Calculated Property
Pvap	35.80	kPa	549.54	Calculated Property
Pvap	58.38	kPa	569.49	Calculated Property
Pvap	91.46	kPa	589.43	Calculated Property
Pvap	138.30	kPa	609.38	Calculated Property
Pvap	202.66	kPa	629.32	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanal.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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