Chemical Properties of 4-Nonyne (CAS 20184-91-2)

InChI

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

InChI Key

RAYTXPDVKZFUEI-UHFFFAOYSA-N

Formula

C9H16

SMILES

CCCC#CCCCC

Molecular Weight¹

124.22

CAS

20184-91-2

Other Names

• 4-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	42.00 ± 2.80	kJ/mol	NIST
ΔfusH°	22.19	kJ/mol	Joback Calculated Property
ΔvapH°	37.78	kJ/mol	Joback Calculated Property
IE	9.17 ± 0.03	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	[909.00; 936.00]
Inp	910.00		NIST
Inp	Outlier 936.00		NIST
Inp	910.00		NIST
Inp	910.00		NIST
Inp	909.00		NIST
Inp	909.00		NIST
Inp	910.00		NIST
Inp	912.00		NIST
I	[1094.00; 1108.20]
I	1096.00		NIST
I	1095.00		NIST
I	1094.00		NIST
I	1095.00		NIST
I	1108.20		NIST
Tboil	[155.12; 428.00]	K
Tboil	428.00	K	NIST
Tboil	155.12 ± 0.20	K	NIST
Tboil	425.00 ± 5.00	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; 202.65]	kPa	[321.72; 452.45]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53732e+01
Coefficient B			-3.94974e+03
Coefficient C			-5.98980e+01
Temperature range, min.			321.72
Temperature range, max.			452.45
Pvap	1.33	kPa	321.72	Calculated Property
Pvap	2.95	kPa	336.25	Calculated Property
Pvap	6.02	kPa	350.77	Calculated Property
Pvap	11.47	kPa	365.30	Calculated Property
Pvap	20.64	kPa	379.82	Calculated Property
Pvap	35.29	kPa	394.35	Calculated Property
Pvap	57.69	kPa	408.87	Calculated Property
Pvap	90.68	kPa	423.40	Calculated Property
Pvap	137.67	kPa	437.92	Calculated Property
Pvap	202.65	kPa	452.45	Calculated Property

Similar Compounds

Find more compounds similar to 4-Nonyne.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• 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.