Chemical Properties of (Z)-Hentriacont-22-ene-2,4-dione

InChI

InChI=1S/C31H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31(33)29-30(2)32/h10-11H,3-9,12-29H2,1-2H3/b11-10+

InChI Key

PCUWNQVNMSDXMY-KHPPLWFESA-N

Formula

C31H58O2

SMILES

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

Molecular Weight¹

462.80

• 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	1.2421		Relay (1.0) Calculated Property
ΔfG°	32.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-867.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	79.45	kJ/mol	Joback Calculated Property
ΔvapH°	142.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-9.38		Relay (1.0) Calculated Property
logPoct/wat	10.473		Crippen Calculated Property
McVol	446.490	ml/mol	McGowan Calculated Property
Pc	620.03	kPa	Joback Calculated Property
Inp	[3426.30; 3426.30]
Inp	3426.30		NIST
Inp	3426.30		NIST
Tboil	672.39	K	Relay (1.0) Calculated Property
Tc	879.90	K	Relay (1.0) Calculated Property
Tfus	334.89	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	[1579.37; 1711.71]	J/mol×K	[1020.58; 1271.90]
Cp,gas	1579.37	J/mol×K	1020.58	Joback Calculated Property
Cp,gas	1605.03	J/mol×K	1062.47	Joback Calculated Property
Cp,gas	1629.02	J/mol×K	1104.35	Joback Calculated Property
Cp,gas	1651.52	J/mol×K	1146.24	Joback Calculated Property
Cp,gas	1672.68	J/mol×K	1188.13	Joback Calculated Property
Cp,gas	1692.69	J/mol×K	1230.01	Joback Calculated Property
Cp,gas	1711.71	J/mol×K	1271.90	Joback Calculated Property
η	[0.0000161; 0.0004371]	Pa×s	[533.91; 1020.58]
η	0.0004371	Pa×s	533.91	Joback Calculated Property
η	0.0001753	Pa×s	615.02	Joback Calculated Property
η	0.0000870	Pa×s	696.13	Joback Calculated Property
η	0.0000500	Pa×s	777.24	Joback Calculated Property
η	0.0000319	Pa×s	858.36	Joback Calculated Property
η	0.0000220	Pa×s	939.47	Joback Calculated Property
η	0.0000161	Pa×s	1020.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-Hentriacont-22-ene-2,4-dione.

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.