Chemical Properties of (Z)-Heptacos-18-ene-2,4-dione

InChI

InChI=1S/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h10-11H,3-9,12-25H2,1-2H3/b11-10+

InChI Key

JOPYJNRQQOWTHX-KHPPLWFESA-N

Formula

C27H50O2

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)CC(C)=O

Molecular Weight¹

406.69

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1021		Relay (1.0) Calculated Property
ΔfG°	-1.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-782.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.09	kJ/mol	Joback Calculated Property
ΔvapH°	127.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-8.25		Relay (1.0) Calculated Property
logPoct/wat	8.913		Crippen Calculated Property
McVol	390.130	ml/mol	McGowan Calculated Property
Pc	758.07	kPa	Joback Calculated Property
Inp	[3021.20; 3021.20]
Inp	3021.20		NIST
Inp	3021.20		NIST
Tboil	647.05	K	Relay (1.0) Calculated Property
Tc	858.22	K	Relay (1.0) Calculated Property
Tfus	322.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume 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	[1317.05; 1431.16]	J/mol×K	[929.26; 1140.43]
Cp,gas	1317.05	J/mol×K	929.26	Joback Calculated Property
Cp,gas	1338.93	J/mol×K	964.45	Joback Calculated Property
Cp,gas	1359.54	J/mol×K	999.65	Joback Calculated Property
Cp,gas	1378.98	J/mol×K	1034.84	Joback Calculated Property
Cp,gas	1397.34	J/mol×K	1070.04	Joback Calculated Property
Cp,gas	1414.70	J/mol×K	1105.23	Joback Calculated Property
Cp,gas	1431.16	J/mol×K	1140.43	Joback Calculated Property
η	[0.0000298; 0.0007463]	Pa×s	[488.83; 929.26]
η	0.0007463	Pa×s	488.83	Joback Calculated Property
η	0.0003074	Pa×s	562.24	Joback Calculated Property
η	0.0001554	Pa×s	635.64	Joback Calculated Property
η	0.0000905	Pa×s	709.04	Joback Calculated Property
η	0.0000583	Pa×s	782.45	Joback Calculated Property
η	0.0000405	Pa×s	855.86	Joback Calculated Property
η	0.0000298	Pa×s	929.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-Heptacos-18-ene-2,4-dione.

Sources

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

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