Chemical Properties of Octadecanal (CAS 638-66-4)

InChI

InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3

InChI Key

FWWQKRXKHIRPJY-UHFFFAOYSA-N

Formula

C18H36O

SMILES

CCCCCCCCCCCCCCCCCC=O

Molecular Weight¹

268.48

CAS

638-66-4

Other Names

• Stearaldehyde
• Octadecyl aldehyde
• Stearyl aldehyde
• n-Octadecanal
• 1-octadecanal

• 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).
• 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°	1.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-500.43	kJ/mol	Joback Calculated Property
ΔfusH°	44.66	kJ/mol	Joback Calculated Property
ΔvapH°	62.38	kJ/mol	Joback Calculated Property
log10WS	-6.64		Crippen Calculated Property
logPoct/wat	6.447		Crippen Calculated Property
McVol	266.050	ml/mol	McGowan Calculated Property
Pc	1212.36	kPa	Joback Calculated Property
Inp	[257.80; 2043.00]
Inp	2018.00		NIST
Inp	1995.00		NIST
Inp	1975.00		NIST
Inp	1980.00		NIST
Inp	2043.00		NIST
Inp	1995.00		NIST
Inp	2021.00		NIST
Inp	2002.00		NIST
Inp	2038.00		NIST
Inp	2018.00		NIST
Inp	2013.00		NIST
Inp	2033.00		NIST
Inp	2034.00		NIST
Inp	2010.00		NIST
Inp	2024.00		NIST
Inp	1982.00		NIST
Inp	2017.00		NIST
Inp	1999.00		NIST
Inp	1995.00		NIST
Inp	2012.00		NIST
Inp	1976.00		NIST
Inp	1989.00		NIST
Inp	1999.00		NIST
Inp	2024.00		NIST
Inp	2017.00		NIST
Inp	2037.00		NIST
Inp	2016.00		NIST
Inp	2017.00		NIST
Inp	2037.00		NIST
Inp	2032.00		NIST
Inp	2032.00		NIST
Inp	Outlier 257.80		NIST
Inp	1995.00		NIST
I	[2336.00; 2400.00]
I	2396.00		NIST
I	2343.00		NIST
I	2400.00		NIST
I	2380.00		NIST
I	2336.00		NIST
I	2390.00		NIST
I	2390.00		NIST
I	2343.00		NIST
I	2388.00		NIST
I	2353.00		NIST
I	2357.00		NIST
I	2400.00		NIST
I	2396.00		NIST
I	2388.00		NIST
Tboil	659.90	K	Joback Calculated Property
Tc	824.47	K	Joback Calculated Property
Tfus	[311.00; 336.70]	K
Tfus	315.00 ± 3.00	K	NIST
Tfus	317.00 ± 5.00	K	NIST
Tfus	311.00 ± 4.00	K	NIST
Tfus	336.70 ± 20.00	K	NIST
Vc	1.060	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[756.78; 857.81]	J/mol×K	[659.90; 824.47]
Cp,gas	756.78	J/mol×K	659.90	Joback Calculated Property
Cp,gas	775.55	J/mol×K	687.33	Joback Calculated Property
Cp,gas	793.51	J/mol×K	714.76	Joback Calculated Property
Cp,gas	810.69	J/mol×K	742.18	Joback Calculated Property
Cp,gas	827.12	J/mol×K	769.61	Joback Calculated Property
Cp,gas	842.81	J/mol×K	797.04	Joback Calculated Property
Cp,gas	857.81	J/mol×K	824.47	Joback Calculated Property
η	[0.0001371; 0.0034940]	Pa×s	[334.62; 659.90]
η	0.0034940	Pa×s	334.62	Joback Calculated Property
η	0.0013983	Pa×s	388.83	Joback Calculated Property
η	0.0007002	Pa×s	443.05	Joback Calculated Property
η	0.0004077	Pa×s	497.26	Joback Calculated Property
η	0.0002640	Pa×s	551.47	Joback Calculated Property
η	0.0001848	Pa×s	605.69	Joback Calculated Property
η	0.0001371	Pa×s	659.90	Joback Calculated Property
ΔvapH	75.70	kJ/mol	514.50	NIST

Similar Compounds

Find more compounds similar to Octadecanal.

Sources

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

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