Chemical Properties of Octadecanenitrile (CAS 638-65-3)

InChI

InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3

InChI Key

RHSBIGNQEIPSCT-UHFFFAOYSA-N

Formula

C18H35N

SMILES

CCCCCCCCCCCCCCCCCC#N

Molecular Weight¹

265.48

CAS

638-65-3

Other Names

• 1-Cyanoheptadecane
• Heptadecyl cyanide
• Nitril kyseliny stearove
• Octadecanonitrile
• Oktadekannitril
• Stearonitrile

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fusH : Enthalpy of fusion at a given temperature (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.
• 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°	233.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-249.97	kJ/mol	Joback Calculated Property
ΔfusH°	43.88	kJ/mol	Joback Calculated Property
ΔvapH°	66.14	kJ/mol	Joback Calculated Property
log10WS	-7.22		Crippen Calculated Property
logPoct/wat	6.771		Crippen Calculated Property
McVol	265.860	ml/mol	McGowan Calculated Property
Pc	1132.91	kPa	Joback Calculated Property
Inp	[348.04; 348.04]
Inp	348.04		NIST
Inp	348.04		NIST
Tboil	[482.00; 630.00]	K
Tboil	482.00 ± 3.00	K	NIST
Tboil	630.00 ± 4.00	K	NIST
Tc	888.03	K	Joback Calculated Property
Tfus	[312.15; 315.90]	K
Tfus	314.65 ± 1.00	K	NIST
Tfus	314.15 ± 2.00	K	NIST
Tfus	314.39 ± 0.20	K	NIST
Tfus	313.85 ± 1.00	K	NIST
Tfus	314.03 ± 0.50	K	NIST
Tfus	314.03 ± 0.50	K	NIST
Tfus	315.65 ± 1.50	K	NIST
Tfus	315.65 ± 0.70	K	NIST
Tfus	Outlier 312.15 ± 2.00	K	NIST
Tfus	315.90 ± 0.60	K	NIST
Tfus	314.15 ± 2.00	K	NIST
Vc	1.069	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[780.55; 876.32]	J/mol×K	[713.32; 888.03]
Cp,gas	780.55	J/mol×K	713.32	Joback Calculated Property
Cp,gas	798.48	J/mol×K	742.44	Joback Calculated Property
Cp,gas	815.58	J/mol×K	771.56	Joback Calculated Property
Cp,gas	831.89	J/mol×K	800.68	Joback Calculated Property
Cp,gas	847.43	J/mol×K	829.80	Joback Calculated Property
Cp,gas	862.23	J/mol×K	858.92	Joback Calculated Property
Cp,gas	876.32	J/mol×K	888.03	Joback Calculated Property
ΔfusH	56.50	kJ/mol	315.50	NIST
ΔvapH	78.60	kJ/mol	554.50	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[466.20; 547.20]	K	[1.30; 13.30]
Tboilr	466.20	K	1.30	NIST
Tboilr	547.20	K	13.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[481.62; 688.31]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41565e+01
Coefficient B			-5.04688e+03
Coefficient C			-1.17722e+02
Temperature range, min.			481.62
Temperature range, max.			688.31
Pvap	1.33	kPa	481.62	Calculated Property
Pvap	3.04	kPa	504.59	Calculated Property
Pvap	6.31	kPa	527.55	Calculated Property
Pvap	12.13	kPa	550.52	Calculated Property
Pvap	21.82	kPa	573.48	Calculated Property
Pvap	37.12	kPa	596.45	Calculated Property
Pvap	60.15	kPa	619.41	Calculated Property
Pvap	93.42	kPa	642.38	Calculated Property
Pvap	139.85	kPa	665.34	Calculated Property
Pvap	202.65	kPa	688.31	Calculated Property

Similar Compounds

Find more compounds similar to Octadecanenitrile.

Sources

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

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.