Chemical Properties of E-11,13-DIMETHYL-12-TETRADECEN-1-OL ACETATE

InChI

InChI=1S/C18H34O2/c1-16(2)15-17(3)13-11-9-7-5-6-8-10-12-14-20-18(4)19/h15,17H,5-14H2,1-4H3

InChI Key

MNUWBCKALSZWEW-UHFFFAOYSA-N

Formula

C18H34O2

SMILES

CC(=O)OCCCCCCCCCCC(C)C=C(C)C

Molecular Weight¹

282.47

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.7827		Relay (1.0) Calculated Property
ΔfH°gas	-664.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.53	kJ/mol	Joback Calculated Property
ΔvapH°	89.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-5.77		Relay (1.0) Calculated Property
logPoct/wat	5.663		Crippen Calculated Property
McVol	267.620	ml/mol	McGowan Calculated Property
Pc	1244.21	kPa	Joback Calculated Property
Inp	[1955.10; 1955.10]
Inp	1955.10		NIST
Inp	1955.10		NIST
Tboil	576.22	K	Relay (1.0) Calculated Property
Tc	746.28	K	Relay (1.0) Calculated Property
Tfus	277.66	K	Relay (1.0) Calculated Property
Vc	1.000	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	[768.10; 867.86]	J/mol×K	[691.13; 867.34]
Cp,gas	768.10	J/mol×K	691.13	Joback Calculated Property
Cp,gas	786.83	J/mol×K	720.50	Joback Calculated Property
Cp,gas	804.68	J/mol×K	749.87	Joback Calculated Property
Cp,gas	821.68	J/mol×K	779.23	Joback Calculated Property
Cp,gas	837.85	J/mol×K	808.60	Joback Calculated Property
Cp,gas	853.24	J/mol×K	837.97	Joback Calculated Property
Cp,gas	867.86	J/mol×K	867.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to E-11,13-DIMETHYL-12-TETRADECEN-1-OL ACETATE.

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.