Chemical Properties of Eicosanal (CAS 2400-66-0)

InChI

InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h20H,2-19H2,1H3

InChI Key

FWBUWJHWAKTPHI-UHFFFAOYSA-N

Formula

C20H40O

SMILES

CCCCCCCCCCCCCCCCCCCC=O

Molecular Weight¹

296.53

CAS

2400-66-0

Other Names

• 1-Eicosanal
• icosanal

• 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.
• I : 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	0.9356		Relay (1.0) Calculated Property
ΔfG°	18.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-560.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.84	kJ/mol	Joback Calculated Property
ΔvapH°	109.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-7.52		Relay (1.0) Calculated Property
logPoct/wat	7.227		Crippen Calculated Property
McVol	294.230	ml/mol	McGowan Calculated Property
Pc	1065.18	kPa	Joback Calculated Property
Inp	[2203.00; 2229.00]
Inp	2221.00		NIST
Inp	2224.00		NIST
Inp	2225.30		NIST
Inp	2219.00		NIST
Inp	2211.00		NIST
Inp	2229.00		NIST
Inp	Outlier 2203.00		NIST
Inp	2229.00		NIST
Inp	2220.00		NIST
I	2571.00		NIST
Tboil	599.37	K	Relay (1.0) Calculated Property
Tc	790.54	K	Relay (1.0) Calculated Property
Tfus	327.16	K	Relay (1.0) Calculated Property
Vc	1.168	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[874.23; 979.60]	J/mol×K	[705.86; 872.88]
Cp,gas	874.23	J/mol×K	705.86	Joback Calculated Property
Cp,gas	893.87	J/mol×K	733.70	Joback Calculated Property
Cp,gas	912.64	J/mol×K	761.53	Joback Calculated Property
Cp,gas	930.57	J/mol×K	789.37	Joback Calculated Property
Cp,gas	947.69	J/mol×K	817.21	Joback Calculated Property
Cp,gas	964.02	J/mol×K	845.05	Joback Calculated Property
Cp,gas	979.60	J/mol×K	872.88	Joback Calculated Property
η	[0.0001069; 0.0029013]	Pa×s	[357.16; 705.86]
η	0.0029013	Pa×s	357.16	Joback Calculated Property
η	0.0011390	Pa×s	415.28	Joback Calculated Property
η	0.0005625	Pa×s	473.39	Joback Calculated Property
η	0.0003242	Pa×s	531.51	Joback Calculated Property
η	0.0002083	Pa×s	589.63	Joback Calculated Property
η	0.0001448	Pa×s	647.74	Joback Calculated Property
η	0.0001069	Pa×s	705.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Eicosanal.

Sources

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

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