Chemical Properties of 2-Nonyne (CAS 19447-29-1)

InChI

InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7-9H2,1-2H3

InChI Key

LXKRETAGISZJAD-UHFFFAOYSA-N

Formula

C9H16

SMILES

CC#CCCCCCC

Molecular Weight¹

124.22

CAS

19447-29-1

Other Names

• 2-C9H16

• 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).
• 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.
• 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
ΔfG°	227.70	kJ/mol	Joback Calculated Property
ΔfH°gas	43.60 ± 3.00	kJ/mol	NIST
ΔfusH°	22.19	kJ/mol	Joback Calculated Property
ΔvapH°	37.78	kJ/mol	Joback Calculated Property
IE	[9.29; 9.32]	eV
IE	9.32 ± 0.02	eV	NIST
IE	9.29 ± 0.01	eV	NIST
log10WS	-3.38		Crippen Calculated Property
logPoct/wat	2.980		Crippen Calculated Property
McVol	129.070	ml/mol	McGowan Calculated Property
Pc	2707.03	kPa	Joback Calculated Property
Inp	[940.00; 964.00]
Inp	941.00		NIST
Inp	Outlier 964.00		NIST
Inp	941.00		NIST
Inp	941.00		NIST
Inp	940.00		NIST
Inp	940.00		NIST
Inp	941.00		NIST
Inp	943.00		NIST
Inp	946.00		NIST
Inp	941.00		NIST
Inp	940.00		NIST
Inp	946.00		NIST
I	[1162.00; 1177.20]
I	1163.00		NIST
I	1163.00		NIST
I	1163.00		NIST
I	1162.00		NIST
I	1177.20		NIST
Tboil	[431.50; 434.15]	K
Tboil	431.50 ± 0.50	K	NIST
Tboil	431.65 ± 1.50	K	NIST
Tboil	432.15 ± 1.50	K	NIST
Tboil	434.15 ± 1.50	K	NIST
Tc	600.28	K	Joback Calculated Property
Tfus	297.29	K	Joback Calculated Property
Vc	0.501	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.22; 319.44]	J/mol×K	[414.32; 600.28]
Cp,gas	247.22	J/mol×K	414.32	Joback Calculated Property
Cp,gas	260.52	J/mol×K	445.31	Joback Calculated Property
Cp,gas	273.31	J/mol×K	476.31	Joback Calculated Property
Cp,gas	285.57	J/mol×K	507.30	Joback Calculated Property
Cp,gas	297.34	J/mol×K	538.29	Joback Calculated Property
Cp,gas	308.63	J/mol×K	569.29	Joback Calculated Property
Cp,gas	319.44	J/mol×K	600.28	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[328.04; 460.72]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53813e+01
Coefficient B			-4.01410e+03
Coefficient C			-6.20940e+01
Temperature range, min.			328.04
Temperature range, max.			460.72
Pvap	1.33	kPa	328.04	Calculated Property
Pvap	2.95	kPa	342.78	Calculated Property
Pvap	6.01	kPa	357.52	Calculated Property
Pvap	11.47	kPa	372.27	Calculated Property
Pvap	20.63	kPa	387.01	Calculated Property
Pvap	35.27	kPa	401.75	Calculated Property
Pvap	57.67	kPa	416.49	Calculated Property
Pvap	90.66	kPa	431.24	Calculated Property
Pvap	137.65	kPa	445.98	Calculated Property
Pvap	202.64	kPa	460.72	Calculated Property

Similar Compounds

Find more compounds similar to 2-Nonyne.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.