Chemical Properties of 1,8-Nonadiyne (CAS 2396-65-8)

InChI

InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1-2H,5-9H2

InChI Key

DMOVPHYFYSASTC-UHFFFAOYSA-N

Formula

C9H12

SMILES

C#CCCCCCC#C

Molecular Weight¹

120.19

CAS

2396-65-8

Other Names

• nona-1,8-diyne

• 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).
• 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_boilr : Boiling point at reduced pressure (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°	471.04	kJ/mol	Joback Calculated Property
ΔfH°gas	354.71	kJ/mol	Joback Calculated Property
ΔfusH°	25.02	kJ/mol	Joback Calculated Property
ΔvapH°	35.34	kJ/mol	Joback Calculated Property
log10WS	-3.18		Crippen Calculated Property
logPoct/wat	2.203		Crippen Calculated Property
McVol	120.470	ml/mol	McGowan Calculated Property
Pc	3135.00	kPa	Joback Calculated Property
Inp	926.00		NIST
Tboil	[435.13; 435.20]	K
Tboil	435.20	K	NIST
Tboil	435.13 ± 0.20	K	NIST
Tc	572.50	K	Joback Calculated Property
Tfus	[245.87; 252.00]	K
Tfus	245.87 ± 0.10	K	NIST
Tfus	252.00 ± 4.00	K	NIST
Vc	0.464	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.55; 281.31]	J/mol×K	[385.56; 572.50]
Cp,gas	220.55	J/mol×K	385.56	Joback Calculated Property
Cp,gas	232.01	J/mol×K	416.72	Joback Calculated Property
Cp,gas	242.91	J/mol×K	447.87	Joback Calculated Property
Cp,gas	253.26	J/mol×K	479.03	Joback Calculated Property
Cp,gas	263.10	J/mol×K	510.19	Joback Calculated Property
Cp,gas	272.44	J/mol×K	541.34	Joback Calculated Property
Cp,gas	281.31	J/mol×K	572.50	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[334.12; 458.79]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62720e+01
Coefficient B			-4.34773e+03
Coefficient C			-6.21220e+01
Temperature range, min.			334.12
Temperature range, max.			458.79
Pvap	1.33	kPa	334.12	Calculated Property
Pvap	2.89	kPa	347.97	Calculated Property
Pvap	5.84	kPa	361.82	Calculated Property
Pvap	11.09	kPa	375.68	Calculated Property
Pvap	19.94	kPa	389.53	Calculated Property
Pvap	34.18	kPa	403.38	Calculated Property
Pvap	56.19	kPa	417.23	Calculated Property
Pvap	88.98	kPa	431.09	Calculated Property
Pvap	136.29	kPa	444.94	Calculated Property
Pvap	202.63	kPa	458.79	Calculated Property

Similar Compounds

Find more compounds similar to 1,8-Nonadiyne.

Sources

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

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