Chemical Properties of 3,5-Octadiyne (CAS 16387-70-5)

InChI

InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h3-4H2,1-2H3

InChI Key

LILZEAJBVQOINI-UHFFFAOYSA-N

Formula

C8H10

SMILES

CCC#CC#CCC

Molecular Weight¹

106.17

CAS

16387-70-5

Other Names

• Diethyldiacetylene

• 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).
• 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
ω	0.1403		Relay (1.0) Calculated Property
ΔfH°gas	357.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.72	kJ/mol	Joback Calculated Property
ΔvapH°	44.64	kJ/mol	Relay (1.0) Calculated Property
IE	[8.55; 8.82]	eV
IE	8.55	eV	NIST
IE	8.78	eV	NIST
IE	8.82	eV	NIST
log10WS	-2.29		Relay (1.0) Calculated Property
logPoct/wat	1.813		Crippen Calculated Property
McVol	106.380	ml/mol	McGowan Calculated Property
Pc	3602.88	kPa	Joback Calculated Property
Inp	972.00		NIST
Tboil	437.00 ± 4.00	K	NIST
Tc	546.73	K	Relay (1.0) Calculated Property
Tfus	237.38	K	Relay (1.0) Calculated Property
Vc	0.396	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	[182.91; 240.36]	J/mol×K	[400.44; 616.12]
Cp,gas	182.91	J/mol×K	400.44	Joback Calculated Property
Cp,gas	193.56	J/mol×K	436.39	Joback Calculated Property
Cp,gas	203.76	J/mol×K	472.33	Joback Calculated Property
Cp,gas	213.53	J/mol×K	508.28	Joback Calculated Property
Cp,gas	222.88	J/mol×K	544.23	Joback Calculated Property
Cp,gas	231.82	J/mol×K	580.18	Joback Calculated Property
Cp,gas	240.36	J/mol×K	616.12	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[335.32; 460.76]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62366e+01
Coefficient B			-4.35058e+03
Coefficient C			-6.25390e+01
Temperature range, min.			335.32
Temperature range, max.			460.76
Pvap	1.33	kPa	335.32	Calculated Property
Pvap	2.89	kPa	349.26	Calculated Property
Pvap	5.85	kPa	363.20	Calculated Property
Pvap	11.10	kPa	377.13	Calculated Property
Pvap	19.97	kPa	391.07	Calculated Property
Pvap	34.23	kPa	405.01	Calculated Property
Pvap	56.25	kPa	418.95	Calculated Property
Pvap	89.05	kPa	432.88	Calculated Property
Pvap	136.36	kPa	446.82	Calculated Property
Pvap	202.66	kPa	460.76	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Octadiyne.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.