Chemical Properties of (Z)-Tritriacont-24-ene-2,4-dione (CAS 305805-42-9)

InChI

InChI=1S/C33H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33(35)31-32(2)34/h10-11H,3-9,12-31H2,1-2H3/b11-10-

InChI Key

PYQSSJXHPITMSX-KHPPLWFESA-N

Formula

C33H62O2

SMILES

CCCCCCCCC=CCCCCCCCCCCCCCCCCCCCC(=O)CC(C)=O

Molecular Weight¹

490.84

CAS

305805-42-9

• 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	1.3119		Relay (1.0) Calculated Property
ΔfG°	49.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-925.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	84.63	kJ/mol	Joback Calculated Property
ΔvapH°	151.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-10.01		Relay (1.0) Calculated Property
logPoct/wat	11.253		Crippen Calculated Property
McVol	474.670	ml/mol	McGowan Calculated Property
Pc	564.74	kPa	Joback Calculated Property
Inp	[3651.20; 3651.20]
Inp	3651.20		NIST
Inp	3651.20		NIST
Tboil	691.79	K	Relay (1.0) Calculated Property
Tc	891.90	K	Relay (1.0) Calculated Property
Tfus	344.31	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.38; 1669.29]	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			-2.65730e+01
Coefficient B			3.10284e+00
Coefficient C			-1.81780e-03
Coefficient D			4.10820e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	693.38	J/mol×K	273.00	Calculated Property
Cp,gas	861.82	J/mol×K	353.78	Calculated Property
Cp,gas	1012.22	J/mol×K	434.56	Calculated Property
Cp,gas	1145.90	J/mol×K	515.33	Calculated Property
Cp,gas	1264.13	J/mol×K	596.11	Calculated Property
Cp,gas	1368.24	J/mol×K	676.89	Calculated Property
Cp,gas	1459.51	J/mol×K	757.67	Calculated Property
Cp,gas	1539.24	J/mol×K	838.44	Calculated Property
Cp,gas	1608.73	J/mol×K	919.22	Calculated Property
Cp,gas	1669.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003299; 0.0000189]	Pa×s	[556.45; 942.76]	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			-1.50008e+01
Coefficient B			3.88634e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			556.45
Temperature range, max.			942.76
η	0.0003299	Pa×s	556.45	Calculated Property
η	0.0002001	Pa×s	599.37	Calculated Property
η	0.0001297	Pa×s	642.30	Calculated Property
η	0.0000888	Pa×s	685.22	Calculated Property
η	0.0000636	Pa×s	728.14	Calculated Property
η	0.0000472	Pa×s	771.07	Calculated Property
η	0.0000362	Pa×s	813.99	Calculated Property
η	0.0000285	Pa×s	856.91	Calculated Property
η	0.0000230	Pa×s	899.84	Calculated Property
η	0.0000189	Pa×s	942.76	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-Tritriacont-24-ene-2,4-dione.

Sources

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

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