Nonanenitrile (CAS 2243-27-8)

InChI

InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3

InChI Key

PLZZPPHAMDJOSR-UHFFFAOYSA-N

Formula

C9H17N

SMILES

CCCCCCCCC#N

Molecular Weight¹

139.24

CAS

2243-27-8

Other Names

1-cyanooctane
1-octyl cyanide
NSC 5560
Nonanetrile
Nonanitrile
Nonanonitrile
Nonyl nitrile
Pelargononitrile
n-Nonanenitrile
n-Octylcyanide
n-nonanonitrile
n-octanenitrile
n-octyl cyanide
octyl cyanide
pelargonitrile

ω : Acentric Factor.
PAff : Proton affinity (kJ/mol).
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).
Δ_vapH : Enthalpy of vaporization at a given temperature (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.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
ω	0.5767		Relay (1.0) Calculated Property
PAff	[807.10; 812.00]	kJ/mol
PAff	807.10	kJ/mol	NIST
PAff	812.00	kJ/mol	NIST
Δ_fG°	158.08	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-71.11	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	20.57	kJ/mol	Joback Calculated Property
Δ_vapH°	[58.00; 62.00]	kJ/mol
Δ_vapH°	62.00 ± 0.30	kJ/mol	NIST
Δ_vapH°	58.00	kJ/mol	NIST
IE	10.84	eV	Relay (1.0) Calculated Property
log₁₀WS	-3.92		Relay (1.0) Calculated Property
logP_oct/wat	3.261		Crippen Calculated Property
McVol	139.050	ml/mol	McGowan Calculated Property
P_c	2252.53	kPa	Joback Calculated Property
I_np	[199.75; 1185.00]
I_np	1185.00		NIST
I_np	1182.20		NIST
I_np	199.75		NIST
I_np	1185.00		NIST
I_np	1182.20		NIST
I	[1565.00; 1593.00]
I	1593.00		NIST
I	1593.00		NIST
I	1565.00		NIST
I	1593.00		NIST
I	1565.00		NIST
T_boil	[488.00; 497.60]	K
T_boil	497.60	K	NIST
T_boil	497.00 ± 1.00	K	NIST
T_boil	488.00 ± 5.00	K	NIST
T_boil	488.00 ± 8.00	K	NIST
T_c	686.36	K	Relay (1.0) Calculated Property
T_fus	[223.65; 238.95]	K
T_fus	223.65 ± 0.50	K	NIST
T_fus	238.95 ± 1.00	K	NIST
V_c	0.543	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[314.15; 381.92]	J/mol×K	[507.40; 690.60]

C_p,gas	314.15	J/mol×K	507.40	Joback Calculated Property
C_p,gas	326.75	J/mol×K	537.93	Joback Calculated Property
C_p,gas	338.81	J/mol×K	568.47	Joback Calculated Property
C_p,gas	350.34	J/mol×K	599.00	Joback Calculated Property
C_p,gas	361.36	J/mol×K	629.53	Joback Calculated Property
C_p,gas	371.88	J/mol×K	660.07	Joback Calculated Property
C_p,gas	381.92	J/mol×K	690.60	Joback Calculated Property
Δ_vapH	56.80	kJ/mol	415.50	NIST
P_vap	[1.48e-03; 0.08]	kPa	[273.66; 323.20]

P_vap	1.48e-03	kPa	273.66	Extracting Vapor Pressure Data from Gas-Liquid Chromatography Retention Times. Part 2: Analysis of Double Reference Approach
P_vap	2.31e-03	kPa	278.15	Extracting Vapor Pressure Data from Gas-Liquid Chromatography Retention Times. Part 2: Analysis of Double Reference Approach
P_vap	3.70e-03	kPa	283.15	Extracting Vapor Pressure Data from Gas-Liquid Chromatography Retention Times. Part 2: Analysis of Double Reference Approach
P_vap	3.90e-03	kPa	285.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	4.49e-03	kPa	286.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	5.85e-03	kPa	288.15	Extracting Vapor Pressure Data from Gas-Liquid Chromatography Retention Times. Part 2: Analysis of Double Reference Approach
P_vap	5.19e-03	kPa	288.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	6.40e-03	kPa	290.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	7.14e-03	kPa	291.70	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	9.07e-03	kPa	293.15	Extracting Vapor Pressure Data from Gas-Liquid Chromatography Retention Times. Part 2: Analysis of Double Reference Approach
P_vap	7.97e-03	kPa	293.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	9.92e-03	kPa	295.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.01	kPa	296.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.01	kPa	298.15	Extracting Vapor Pressure Data from Gas-Liquid Chromatography Retention Times. Part 2: Analysis of Double Reference Approach
P_vap	0.01	kPa	298.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.01	kPa	299.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.02	kPa	301.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.02	kPa	302.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.02	kPa	303.16	Extracting Vapor Pressure Data from Gas-Liquid Chromatography Retention Times. Part 2: Analysis of Double Reference Approach
P_vap	0.02	kPa	304.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.02	kPa	305.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.02	kPa	307.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.03	kPa	308.18	Extracting Vapor Pressure Data from Gas-Liquid Chromatography Retention Times. Part 2: Analysis of Double Reference Approach
P_vap	0.03	kPa	308.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.03	kPa	310.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.04	kPa	311.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.04	kPa	313.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.05	kPa	316.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.05	kPa	316.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.06	kPa	319.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.07	kPa	320.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
P_vap	0.08	kPa	323.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.

Similar Compounds

Find more compounds similar to Nonanenitrile.

Mixtures

Sources

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.

Chemical Properties of Nonanenitrile (CAS 2243-27-8)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Mixtures

Sources