Chemical Properties of 3-Nonyne (CAS 20184-89-8)

InChI

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

InChI Key

SRRDSRCWRHKEKU-UHFFFAOYSA-N

Formula

C9H16

SMILES

CCC#CCCCCC

Molecular Weight¹

124.23

CAS

20184-89-8

Other Names

• 3-C9H16

• ω : Acentric Factor.
• 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_p : 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	0.3164		Relay (1.0) Calculated Property
ΔfG°	227.70	kJ/mol	Joback Calculated Property
ΔfH°gas	42.00 ± 2.50	kJ/mol	NIST
ΔfusH°	22.19	kJ/mol	Joback Calculated Property
ΔvapH°	47.98	kJ/mol	Relay (1.0) Calculated Property
IE	[9.20; 9.20]	eV
IE	9.20 ± 0.02	eV	NIST
IE	9.20 ± 0.01	eV	NIST
log10WS	-3.76		Relay (1.0) 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	[913.00; 918.00]
Inp	916.00		NIST
Inp	915.00		NIST
Inp	915.00		NIST
Inp	914.00		NIST
Inp	913.00		NIST
Inp	916.00		NIST
Inp	918.00		NIST
Inp	916.00		NIST
Ip	[1108.00; 1122.50]
Ip	1110.00		NIST
Ip	1108.00		NIST
Ip	1108.00		NIST
Ip	1109.00		NIST
Ip	Outlier 1122.50		NIST
Ip	1110.00		NIST
Tboil	[425.65; 431.65]	K
Tboil	429.00	K	NIST
Tboil	429.82 ± 0.60	K	NIST
Tboil	425.65 ± 2.00	K	NIST
Tboil	429.00 ± 2.00	K	NIST
Tboil	431.65 ± 2.00	K	NIST
Tc	613.79	K	Relay (1.0) Calculated Property
Tfus	187.24	K	Relay (1.0) Calculated Property
Vc	0.492	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.51; 422.52]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.22650e+01
Coefficient B			7.09040e-01
Coefficient C			-3.73660e-04
Coefficient D			7.48800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.51	J/mol×K	273.00	Calculated Property
Cp,gas	219.66	J/mol×K	353.78	Calculated Property
Cp,gas	255.97	J/mol×K	434.56	Calculated Property
Cp,gas	288.67	J/mol×K	515.33	Calculated Property
Cp,gas	318.01	J/mol×K	596.11	Calculated Property
Cp,gas	344.23	J/mol×K	676.89	Calculated Property
Cp,gas	367.55	J/mol×K	757.67	Calculated Property
Cp,gas	388.21	J/mol×K	838.44	Calculated Property
Cp,gas	406.46	J/mol×K	919.22	Calculated Property
Cp,gas	422.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[324.20; 455.70]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53764e+01
Coefficient B			-3.97500e+03
Coefficient C			-6.07590e+01
Temperature range, min.			324.20
Temperature range, max.			455.70
Pvap	1.33	kPa	324.20	Calculated Property
Pvap	2.95	kPa	338.81	Calculated Property
Pvap	6.01	kPa	353.42	Calculated Property
Pvap	11.47	kPa	368.03	Calculated Property
Pvap	20.64	kPa	382.64	Calculated Property
Pvap	35.29	kPa	397.26	Calculated Property
Pvap	57.69	kPa	411.87	Calculated Property
Pvap	90.68	kPa	426.48	Calculated Property
Pvap	137.68	kPa	441.09	Calculated Property
Pvap	202.67	kPa	455.70	Calculated Property
Pvap	[12.87; 99.86]	kPa	[365.15; 429.15]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			-3.09602e+01
Coefficient B			-2.65448e+03
Coefficient C			6.98495e+00
Coefficient D			-3.21438e-06
Coefficient E			0.00000e+00
Temperature range, min.			365.15
Temperature range, max.			429.15
Pvap	12.87	kPa	365.15	Calculated Property
Pvap	16.64	kPa	372.26	Calculated Property
Pvap	21.34	kPa	379.37	Calculated Property
Pvap	27.15	kPa	386.48	Calculated Property
Pvap	34.29	kPa	393.59	Calculated Property
Pvap	43.01	kPa	400.71	Calculated Property
Pvap	53.59	kPa	407.82	Calculated Property
Pvap	66.35	kPa	414.93	Calculated Property
Pvap	81.64	kPa	422.04	Calculated Property
Pvap	99.86	kPa	429.15	Calculated Property

Similar Compounds

Find more compounds similar to 3-Nonyne.

Sources

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

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