Chemical Properties of 9,12-Tetradecadien-1-ol, acetate, (Z,E)- (CAS 31654-77-0)

InChI

InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3+,7-6-

InChI Key

ZZGJZGSVLNSDPG-FDTUMDBZSA-N

Formula

C16H28O2

SMILES

CC=CCC=CCCCCCCCCOC(C)=O

Molecular Weight¹

252.39

CAS

31654-77-0

Other Names

• (Z)-9-(E)-12-Tetradecadien-1-ol acetate
• Z,E-9,12-Tetradecadien-1-yl acetate
• Z,E-9,12-Tetradecadien-1-ol acetate
• (9Z,12E)-9,12-Tetradecadienyl acetate
• (Z,E)-9,12-tetradecenyl acetate
• (Z)-9-(E)-12-Tetradecadienyl acetate
• (Z,E)-tetradeca-9,12-dienyl acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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
ω	0.6810		Relay (1.0) Calculated Property
ΔfH°gas	-544.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.39	kJ/mol	Joback Calculated Property
ΔvapH°	89.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	4.803		Crippen Calculated Property
McVol	235.140	ml/mol	McGowan Calculated Property
Pc	1474.75	kPa	Joback Calculated Property
Inp	[1811.00; 1811.00]
Inp	1811.00		NIST
Inp	1811.00		NIST
I	2222.00		NIST
Tboil	567.68	K	Relay (1.0) Calculated Property
Tc	733.84	K	Relay (1.0) Calculated Property
Tfus	267.47	K	Relay (1.0) Calculated Property
Vc	0.849	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[634.12; 725.06]	J/mol×K	[650.09; 827.94]
Cp,gas	634.12	J/mol×K	650.09	Joback Calculated Property
Cp,gas	651.17	J/mol×K	679.73	Joback Calculated Property
Cp,gas	667.42	J/mol×K	709.37	Joback Calculated Property
Cp,gas	682.90	J/mol×K	739.01	Joback Calculated Property
Cp,gas	697.64	J/mol×K	768.65	Joback Calculated Property
Cp,gas	711.69	J/mol×K	798.30	Joback Calculated Property
Cp,gas	725.06	J/mol×K	827.94	Joback Calculated Property
η	[0.0000900; 0.0020986]	Pa×s	[332.08; 650.09]
η	0.0020986	Pa×s	332.08	Joback Calculated Property
η	0.0008652	Pa×s	385.08	Joback Calculated Property
η	0.0004420	Pa×s	438.08	Joback Calculated Property
η	0.0002610	Pa×s	491.08	Joback Calculated Property
η	0.0001708	Pa×s	544.09	Joback Calculated Property
η	0.0001205	Pa×s	597.09	Joback Calculated Property
η	0.0000900	Pa×s	650.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9,12-Tetradecadien-1-ol, acetate, (Z,E)-.

Sources

• Cheméo Relay (1.0)
• 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.