Chemical Properties of 9E,16E,23E,30E-octatriaconta-tetraen-3-one

InChI

InChI=1S/C38H68O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)4-2/h10-11,17-18,24-25,31-32H,3-9,12-16,19-23,26-30,33-37H2,1-2H3/b11-10+,18-17+,25-24+,32-31+

InChI Key

ZUOUHKCYMKZKKW-NWFVHWQVSA-N

Formula

C38H68O

SMILES

CCCCCCCC=CCCCCCC=CCCCCCC=CCCCCCC=CCCCCCC(=O)CC

Molecular Weight¹

540.95

Other Names

• Octatriaconta-9E,16E,23E,30E-tetraen-3-one

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2415		Relay (1.0) Calculated Property
ΔfG°	461.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-788.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	96.58	kJ/mol	Joback Calculated Property
ΔvapH°	171.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-10.80		Relay (1.0) Calculated Property
logPoct/wat	13.353		Crippen Calculated Property
McVol	530.650	ml/mol	McGowan Calculated Property
Pc	473.62	kPa	Joback Calculated Property
Inp	[3958.00; 3958.00]
Inp	3958.00		NIST
Inp	3958.00		NIST
Inp	3958.00		NIST
Tboil	721.55	K	Relay (1.0) Calculated Property
Tc	907.54	K	Relay (1.0) Calculated Property
Tfus	318.65	K	Relay (1.0) Calculated Property
Vc	1.909	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1951.52; 2178.59]	J/mol×K	[1139.35; 1464.61]
Cp,gas	1951.52	J/mol×K	1139.35	Joback Calculated Property
Cp,gas	1989.35	J/mol×K	1193.56	Joback Calculated Property
Cp,gas	2026.40	J/mol×K	1247.77	Joback Calculated Property
Cp,gas	2063.26	J/mol×K	1301.98	Joback Calculated Property
Cp,gas	2100.51	J/mol×K	1356.19	Joback Calculated Property
Cp,gas	2138.75	J/mol×K	1410.40	Joback Calculated Property
Cp,gas	2178.59	J/mol×K	1464.61	Joback Calculated Property
η	[0.0000039; 0.0001788]	Pa×s	[547.63; 1139.35]
η	0.0001788	Pa×s	547.63	Joback Calculated Property
η	0.0000580	Pa×s	646.25	Joback Calculated Property
η	0.0000254	Pa×s	744.87	Joback Calculated Property
η	0.0000135	Pa×s	843.49	Joback Calculated Property
η	0.0000081	Pa×s	942.11	Joback Calculated Property
η	0.0000054	Pa×s	1040.73	Joback Calculated Property
η	0.0000039	Pa×s	1139.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9E,16E,23E,30E-octatriaconta-tetraen-3-one.

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.