Chemical Properties of 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- (CAS 506-44-5)

InChI

InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-

InChI Key

IKYKEVDKGZYRMQ-PDBXOOCHSA-N

Formula

C18H32O

SMILES

CCC=CCC=CCC=CCCCCCCCCO

Molecular Weight¹

264.45

CAS

506-44-5

Other Names

• (Z,Z,Z)-9,12,15-Octadecatrien-1-ol
• (9Z,12Z,15Z)-9,12,15-octadecatrien-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).
• I_np : Non-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	0.8179		Relay (1.0) Calculated Property
ΔfG°	204.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-376.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.07	kJ/mol	Joback Calculated Property
ΔvapH°	117.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-5.63		Relay (1.0) Calculated Property
logPoct/wat	5.568		Crippen Calculated Property
McVol	257.450	ml/mol	McGowan Calculated Property
Pc	1373.78	kPa	Joback Calculated Property
Inp	[2057.50; 2058.00]
Inp	2057.50		NIST
Inp	2058.00		NIST
Inp	2058.00		NIST
Inp	2058.00		NIST
Inp	2057.50		NIST
Tboil	602.73	K	Relay (1.0) Calculated Property
Tc	784.88	K	Relay (1.0) Calculated Property
Tfus	294.20	K	Relay (1.0) Calculated Property
Vc	0.902	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[739.78; 828.35]	J/mol×K	[716.10; 889.65]
Cp,gas	739.78	J/mol×K	716.10	Joback Calculated Property
Cp,gas	756.22	J/mol×K	745.02	Joback Calculated Property
Cp,gas	771.93	J/mol×K	773.95	Joback Calculated Property
Cp,gas	786.94	J/mol×K	802.87	Joback Calculated Property
Cp,gas	801.32	J/mol×K	831.80	Joback Calculated Property
Cp,gas	815.10	J/mol×K	860.72	Joback Calculated Property
Cp,gas	828.35	J/mol×K	889.65	Joback Calculated Property
η	[0.0000177; 0.0053100]	Pa×s	[338.20; 716.10]
η	0.0053100	Pa×s	338.20	Joback Calculated Property
η	0.0009739	Pa×s	401.18	Joback Calculated Property
η	0.0002830	Pa×s	464.17	Joback Calculated Property
η	0.0001105	Pa×s	527.15	Joback Calculated Property
η	0.0000527	Pa×s	590.13	Joback Calculated Property
η	0.0000290	Pa×s	653.12	Joback Calculated Property
η	0.0000177	Pa×s	716.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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