Chemical Properties of 9-Octadecen-1-ol, (E)- (CAS 506-42-3)

InChI

InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9+

InChI Key

ALSTYHKOOCGGFT-MDZDMXLPSA-N

Formula

C18H36O

SMILES

CCCCCCCCC=CCCCCCCCCO

Molecular Weight¹

268.48

CAS

506-42-3

Other Names

• (E) 9-octadecen-1-ol
• (E)-octadec-9-enol
• 9-Octadecen-1-ol, trans-
• Elaidyl alcohol
• trans-9-Octadecen-1-ol

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9797		Relay (1.0) Calculated Property
ΔfG°	44.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-507.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.67	kJ/mol	Joback Calculated Property
ΔvapH°	120.10	kJ/mol	NIST
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-6.50		Relay (1.0) Calculated Property
logPoct/wat	6.016		Crippen Calculated Property
McVol	266.050	ml/mol	McGowan Calculated Property
Pc	1273.69	kPa	Joback Calculated Property
Inp	[2068.00; 2068.00]
Inp	2068.00		NIST
Inp	2068.00		NIST
Ip	2114.00		NIST
Tboil	605.26	K	Relay (1.0) Calculated Property
Tc	783.44	K	Relay (1.0) Calculated Property
Tfus	308.15 ± 3.00	K	NIST
Vc	1.012	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[385.83; 936.06]	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			-2.23650e+01
Coefficient B			1.76782e+00
Coefficient C			-1.06960e-03
Coefficient D			2.60200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.83	J/mol×K	273.00	Calculated Property
Cp,gas	480.70	J/mol×K	353.78	Calculated Property
Cp,gas	565.22	J/mol×K	434.56	Calculated Property
Cp,gas	640.21	J/mol×K	515.33	Calculated Property
Cp,gas	706.49	J/mol×K	596.11	Calculated Property
Cp,gas	764.88	J/mol×K	676.89	Calculated Property
Cp,gas	816.21	J/mol×K	757.67	Calculated Property
Cp,gas	861.30	J/mol×K	838.44	Calculated Property
Cp,gas	900.98	J/mol×K	919.22	Calculated Property
Cp,gas	936.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0214221; 0.0000551]	Pa×s	[308.15; 611.98]	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			-1.58542e+01
Coefficient B			3.70115e+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.			308.15
Temperature range, max.			611.98
η	0.0214221	Pa×s	308.15	Calculated Property
η	0.0065438	Pa×s	341.91	Calculated Property
η	0.0024738	Pa×s	375.67	Calculated Property
η	0.0010979	Pa×s	409.43	Calculated Property
η	0.0005515	Pa×s	443.18	Calculated Property
η	0.0003053	Pa×s	476.94	Calculated Property
η	0.0001828	Pa×s	510.70	Calculated Property
η	0.0001166	Pa×s	544.46	Calculated Property
η	0.0000784	Pa×s	578.22	Calculated Property
η	0.0000551	Pa×s	611.98	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[468.52; 697.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.31919e+01
Coefficient B			-4.63085e+03
Coefficient C			-1.09660e+02
Temperature range, min.			468.52
Temperature range, max.			697.30
Pvap	1.33	kPa	468.52	Calculated Property
Pvap	3.13	kPa	493.94	Calculated Property
Pvap	6.61	kPa	519.36	Calculated Property
Pvap	12.80	kPa	544.78	Calculated Property
Pvap	23.03	kPa	570.20	Calculated Property
Pvap	38.96	kPa	595.62	Calculated Property
Pvap	62.57	kPa	621.04	Calculated Property
Pvap	96.08	kPa	646.46	Calculated Property
Pvap	141.91	kPa	671.88	Calculated Property
Pvap	202.65	kPa	697.30	Calculated Property

Similar Compounds

Find more compounds similar to 9-Octadecen-1-ol, (E)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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