Chemical Properties of 1,11,14-Heptadecatriene, 8,9-epoxy, (E)-

InChI

InChI=1S/C17H28O/c1-3-5-7-9-11-13-15-17-16(18-17)14-12-10-8-6-4-2/h4-5,7,11,13,16-17H,2-3,6,8-10,12,14-15H2,1H3/b7-5+,13-11+/t16-,17-/m0/s1

InChI Key

FQFKCVPCTWTEDI-ZJKKDXPRSA-N

Formula

C17H28O

SMILES

C=CCCCCCC1OC1CC=CCC=CCC

Molecular Weight¹

248.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.09	kJ/mol	Joback Calculated Property
logPoct/wat	5.193		Crippen Calculated Property
McVol	232.500	ml/mol	McGowan Calculated Property
Inp	[1809.00; 1809.00]
Inp	1809.00		NIST
Inp	1809.00		NIST
I	[2208.00; 2208.00]
I	2208.00		NIST
I	2208.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.48; 812.62]	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			-7.09020e+01
Coefficient B			1.76022e+00
Coefficient C			-1.24240e-03
Coefficient D			3.65700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.48	J/mol×K	273.00	Calculated Property
Cp,gas	412.52	J/mol×K	353.78	Calculated Property
Cp,gas	489.41	J/mol×K	434.56	Calculated Property
Cp,gas	556.30	J/mol×K	515.33	Calculated Property
Cp,gas	614.36	J/mol×K	596.11	Calculated Property
Cp,gas	664.75	J/mol×K	676.89	Calculated Property
Cp,gas	708.61	J/mol×K	757.67	Calculated Property
Cp,gas	747.10	J/mol×K	838.44	Calculated Property
Cp,gas	781.39	J/mol×K	919.22	Calculated Property
Cp,gas	812.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021906; 0.0003501]	Pa×s	[309.70; 563.15]	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			-1.01979e+01
Coefficient B			1.26182e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			309.70
Temperature range, max.			563.15
η	0.0021906	Pa×s	309.70	Calculated Property
η	0.0015598	Pa×s	337.86	Calculated Property
η	0.0011703	Pa×s	366.02	Calculated Property
η	0.0009148	Pa×s	394.18	Calculated Property
η	0.0007390	Pa×s	422.34	Calculated Property
η	0.0006131	Pa×s	450.50	Calculated Property
η	0.0005199	Pa×s	478.67	Calculated Property
η	0.0004491	Pa×s	506.83	Calculated Property
η	0.0003939	Pa×s	534.99	Calculated Property
η	0.0003501	Pa×s	563.15	Calculated Property

Similar Compounds

Find more compounds similar to 1,11,14-Heptadecatriene, 8,9-epoxy, (E)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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