Chemical Properties of 3-Eicosyne (CAS 61886-66-6)

InChI

InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-5,7,9-20H2,1-2H3

InChI Key

AQBXRWJMJJJCLI-UHFFFAOYSA-N

Formula

C20H38

SMILES

CCC#CCCCCCCCCCCCCCCCC

Molecular Weight¹

278.52

CAS

61886-66-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• P_vap : Vapor 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
ΔfG°	320.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-183.83	kJ/mol	Joback Calculated Property
ΔfusH°	50.68	kJ/mol	Joback Calculated Property
ΔvapH°	62.27	kJ/mol	Joback Calculated Property
log10WS	-7.99		Crippen Calculated Property
logPoct/wat	7.271		Crippen Calculated Property
McVol	284.060	ml/mol	McGowan Calculated Property
Pc	1127.59	kPa	Joback Calculated Property
Inp	[1987.00; 1989.00]
Inp	1987.00		NIST
Inp	1989.00		NIST
Tboil	666.00	K	Joback Calculated Property
Tc	837.81	K	Joback Calculated Property
Tfus	421.26	K	Joback Calculated Property
Vc	1.117	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[800.08; 910.52]	J/mol×K	[666.00; 837.81]
Cp,gas	800.08	J/mol×K	666.00	Joback Calculated Property
Cp,gas	820.62	J/mol×K	694.63	Joback Calculated Property
Cp,gas	840.26	J/mol×K	723.27	Joback Calculated Property
Cp,gas	859.05	J/mol×K	751.90	Joback Calculated Property
Cp,gas	877.00	J/mol×K	780.54	Joback Calculated Property
Cp,gas	894.15	J/mol×K	809.17	Joback Calculated Property
Cp,gas	910.52	J/mol×K	837.81	Joback Calculated Property
ΔvapH	68.40	kJ/mol	559.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[462.52; 651.81]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46986e+01
Coefficient B			-5.09710e+03
Coefficient C			-1.08826e+02
Temperature range, min.			462.52
Temperature range, max.			651.81
Pvap	1.33	kPa	462.52	Calculated Property
Pvap	2.99	kPa	483.55	Calculated Property
Pvap	6.17	kPa	504.58	Calculated Property
Pvap	11.81	kPa	525.62	Calculated Property
Pvap	21.26	kPa	546.65	Calculated Property
Pvap	36.25	kPa	567.68	Calculated Property
Pvap	58.98	kPa	588.71	Calculated Property
Pvap	92.13	kPa	609.75	Calculated Property
Pvap	138.82	kPa	630.78	Calculated Property
Pvap	202.64	kPa	651.81	Calculated Property

Similar Compounds

Find more compounds similar to 3-Eicosyne.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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