Chemical Properties of 1,3-Octadiyne

InChI

InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1H,4,6,8H2,2H3

InChI Key

ATBIPMKXEODDBH-UHFFFAOYSA-N

Formula

C8H10

SMILES

C#CC#CCCCC

Molecular Weight¹

106.17

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.1979		Relay (1.0) Calculated Property
ΔfH°gas	396.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.57	kJ/mol	Joback Calculated Property
ΔvapH°	42.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-2.39		Relay (1.0) Calculated Property
logPoct/wat	1.813		Crippen Calculated Property
McVol	106.380	ml/mol	McGowan Calculated Property
Pc	3551.53	kPa	Joback Calculated Property
Inp	[848.30; 848.30]
Inp	848.30		NIST
Inp	848.30		NIST
Tboil	387.67	K	Relay (1.0) Calculated Property
Tc	550.52	K	Relay (1.0) Calculated Property
Tfus	181.81	K	Relay (1.0) Calculated Property
Vc	0.383	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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	[184.11; 239.27]	J/mol×K	[381.76; 583.38]
Cp,gas	184.11	J/mol×K	381.76	Joback Calculated Property
Cp,gas	194.44	J/mol×K	415.36	Joback Calculated Property
Cp,gas	204.30	J/mol×K	448.97	Joback Calculated Property
Cp,gas	213.69	J/mol×K	482.57	Joback Calculated Property
Cp,gas	222.64	J/mol×K	516.17	Joback Calculated Property
Cp,gas	231.16	J/mol×K	549.77	Joback Calculated Property
Cp,gas	239.27	J/mol×K	583.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Octadiyne.

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.
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