Chemical Properties of cis-7-Dodecen-1-yl acetate (CAS 14959-86-5)

InChI

InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,8-13H2,1-2H3/b7-6-

InChI Key

MUZGQHWTRUVFLG-SREVYHEPSA-N

Formula

C14H26O2

SMILES

CCCCC=CCCCCCCOC(C)=O

Molecular Weight¹

226.35

CAS

14959-86-5

Other Names

• (Z)-1-Acetoxy-7-dodecene
• (Z)-7-Dodecen-1-ol acetate
• (Z)-7-Dodecen-1-yl acetate
• (Z)-7-Dodecenyl acetate
• (Z)-dodec-7-enyl acetate
• 7-Dodecen-1-ol, acetate, (7Z)-
• 7-Dodecen-1-ol, acetate, (Z)-
• Looplure
• acetic acid dodec-7-enyl ester, cis
• cis-1-Acetoxy-7-dodecene
• cis-7-Dodecen-1-ol acetate
• cis-7-Dodecenyl 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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 : 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	0.6701		Relay (1.0) Calculated Property
ΔfH°gas	-592.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.59	kJ/mol	Joback Calculated Property
ΔvapH°	79.80	kJ/mol	NIST
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	4.246		Crippen Calculated Property
McVol	211.260	ml/mol	McGowan Calculated Property
Pc	1593.62	kPa	Joback Calculated Property
Inp	[1575.00; 1598.00]
Inp	1598.00		NIST
Inp	1575.00		NIST
Inp	1598.00		NIST
I	[1911.00; 1973.00]
I	1911.00		NIST
I	1973.00		NIST
I	1968.00		NIST
I	1929.00		NIST
I	1973.00		NIST
I	1911.00		NIST
I	1929.00		NIST
Tboil	539.88	K	Relay (1.0) Calculated Property
Tc	710.44	K	Relay (1.0) Calculated Property
Tfus	240.96	K	Relay (1.0) Calculated Property
Vc	0.796	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[304.81; 719.13]	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			1.38900e+00
Coefficient B			1.29904e+00
Coefficient C			-7.27000e-04
Coefficient D			1.45700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	304.81	J/mol×K	273.00	Calculated Property
Cp,gas	376.42	J/mol×K	353.78	Calculated Property
Cp,gas	440.56	J/mol×K	434.56	Calculated Property
Cp,gas	497.70	J/mol×K	515.33	Calculated Property
Cp,gas	548.29	J/mol×K	596.11	Calculated Property
Cp,gas	592.79	J/mol×K	676.89	Calculated Property
Cp,gas	631.66	J/mol×K	757.67	Calculated Property
Cp,gas	665.37	J/mol×K	838.44	Calculated Property
Cp,gas	694.37	J/mol×K	919.22	Calculated Property
Cp,gas	719.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042750; 0.0001702]	Pa×s	[284.79; 527.60]	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			-1.24589e+01
Coefficient B			1.99464e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			284.79
Temperature range, max.			527.60
η	0.0042750	Pa×s	284.79	Calculated Property
η	0.0023320	Pa×s	311.77	Calculated Property
η	0.0014010	Pa×s	338.75	Calculated Property
η	0.0009074	Pa×s	365.73	Calculated Property
η	0.0006238	Pa×s	392.70	Calculated Property
η	0.0004501	Pa×s	419.68	Calculated Property
η	0.0003378	Pa×s	446.66	Calculated Property
η	0.0002619	Pa×s	473.64	Calculated Property
η	0.0002087	Pa×s	500.62	Calculated Property
η	0.0001702	Pa×s	527.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[390.40; 593.93]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.28805e+01
Coefficient B			-3.86144e+03
Coefficient C			-8.37640e+01
Temperature range, min.			390.40
Temperature range, max.			593.93
Pvap	1.33	kPa	390.40	Calculated Property
Pvap	3.17	kPa	413.01	Calculated Property
Pvap	6.73	kPa	435.63	Calculated Property
Pvap	13.05	kPa	458.24	Calculated Property
Pvap	23.48	kPa	480.86	Calculated Property
Pvap	39.65	kPa	503.47	Calculated Property
Pvap	63.47	kPa	526.09	Calculated Property
Pvap	97.05	kPa	548.70	Calculated Property
Pvap	142.66	kPa	571.32	Calculated Property
Pvap	202.66	kPa	593.93	Calculated Property

Similar Compounds

Find more compounds similar to cis-7-Dodecen-1-yl acetate.

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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