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

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

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9757		ChemSep v8.3 pure component data Compiled value
ΔfG°	6.05	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-500.43	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	44.66	kJ/mol	Joback Calculated Property
ΔvapH°	99.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-6.96		Relay (1.0) Calculated Property
logPoct/wat	6.447		Crippen Calculated Property
McVol	266.050	ml/mol	McGowan Calculated Property
Pc	1225.24	kPa	ChemSep v8.3 pure component data Compiled value
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
Ip	[2336.00; 2400.00]
Ip	2396.00		NIST
Ip	2343.00		NIST
Ip	2400.00		NIST
Ip	2380.00		NIST
Ip	2336.00		NIST
Ip	2390.00		NIST
Ip	2390.00		NIST
Ip	2343.00		NIST
Ip	2388.00		NIST
Ip	2353.00		NIST
Ip	2357.00		NIST
Ip	2400.00		NIST
Ip	2396.00		NIST
Ip	2388.00		NIST
Tboil	596.29	K	ChemSep v8.3 pure component data Compiled value
Tc	763.60	K	ChemSep v8.3 pure component data Compiled value
Tfus	[311.00; 336.70]	K
Tfus	315.00	K	ChemSep v8.3 pure component data Compiled value
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
UQi	10.44		ChemSep v8.3 pure component data Compiled value
URi	12.69		ChemSep v8.3 pure component data Compiled value
Vc	1.049	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2024790		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[344.51; 1038.81]	J/mol×K	[255.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.74786e+02
Coefficient B			-5.00000e+02
Coefficient C			7.09493e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	344.51	J/mol×K	255.00	Calculated Property
Cp,gas	513.02	J/mol×K	393.33	Calculated Property
Cp,gas	645.61	J/mol×K	531.67	Calculated Property
Cp,gas	746.52	J/mol×K	670.00	Calculated Property
Cp,gas	824.40	J/mol×K	808.33	Calculated Property
Cp,gas	885.85	J/mol×K	946.67	Calculated Property
Cp,gas	935.38	J/mol×K	1085.00	Calculated Property
Cp,gas	976.07	J/mol×K	1223.33	Calculated Property
Cp,gas	1010.04	J/mol×K	1361.67	Calculated Property
Cp,gas	1038.81	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048258; 0.0002996]	Pa×s	[318.94; 534.52]	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			-1.22252e+01
Coefficient B			2.19795e+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.			318.94
Temperature range, max.			534.52
η	0.0048258	Pa×s	318.94	Calculated Property
η	0.0029819	Pa×s	342.89	Calculated Property
η	0.0019621	Pa×s	366.85	Calculated Property
η	0.0013590	Pa×s	390.80	Calculated Property
η	0.0009821	Pa×s	414.75	Calculated Property
η	0.0007354	Pa×s	438.71	Calculated Property
η	0.0005674	Pa×s	462.66	Calculated Property
η	0.0004490	Pa×s	486.61	Calculated Property
η	0.0003633	Pa×s	510.57	Calculated Property
η	0.0002996	Pa×s	534.52	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 101.86]	kPa	[413.00; 615.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68687e+01
Coefficient B			-7.05369e+03
Coefficient C			-3.96580e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			413.00
Temperature range, max.			615.70
Pvap	0.13	kPa	413.00	Calculated Property
Pvap	0.39	kPa	435.52	Calculated Property
Pvap	1.01	kPa	458.04	Calculated Property
Pvap	2.39	kPa	480.57	Calculated Property
Pvap	5.20	kPa	503.09	Calculated Property
Pvap	10.52	kPa	525.61	Calculated Property
Pvap	20.02	kPa	548.13	Calculated Property
Pvap	36.05	kPa	570.66	Calculated Property
Pvap	61.89	kPa	593.18	Calculated Property
Pvap	101.86	kPa	615.70	Calculated Property

Similar Compounds

Find more compounds similar to Octadecanal.

Sources

• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.