- 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
- 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).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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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 |
| ΔfG° | 158.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -71.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [58.00; 62.00] | kJ/mol |
|
| ΔvapH° | 62.00 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 58.00 | kJ/mol | NIST |
| IE | 10.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.261 | Crippen Calculated Property | |
| McVol | 139.050 | ml/mol | McGowan Calculated Property |
| Pc | 2252.53 | kPa | Joback Calculated Property |
| Inp | [199.75; 1185.00] |
|
|
| Inp | 1185.00 | NIST | |
| Inp | 1182.20 | NIST | |
| Inp | 199.75 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1182.20 | NIST | |
| Ip | [1565.00; 1593.00] |
|
|
| Ip | 1593.00 | NIST | |
| Ip | 1593.00 | NIST | |
| Ip | 1565.00 | NIST | |
| Ip | 1593.00 | NIST | |
| Ip | 1565.00 | NIST | |
| Tboil | [488.00; 497.60] | K |
|
| Tboil | 497.60 | K | NIST |
| Tboil | 497.00 ± 1.00 | K | NIST |
| Tboil | 488.00 ± 5.00 | K | NIST |
| Tboil | 488.00 ± 8.00 | K | NIST |
| Tc | 692.52 | K | Relay (1.0) Calculated Property |
| Tfus | [223.65; 239.05] | K |
|
| Tfus | 239.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 223.65 ± 0.50 | K | NIST |
| Tfus | 238.95 ± 1.00 | K | NIST |
| Vc | 0.548 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.78; 460.13] | 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 | 1.17070e+01 | |||
| Coefficient B | 7.93620e-01 | |||
| Coefficient C | -4.34800e-04 | |||
| Coefficient D | 8.96000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 197.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 242.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 281.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 317.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 349.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 377.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 402.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 424.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 443.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 460.13 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonanenitrile.
Mixtures
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
- Extracting Vapor Pressure Data from Gas-Liquid Chromatography Retention Times. Part 2: Analysis of Double Reference Approach
- Excess Enthalpies of {CH3(CH2)nCN, n = 5 to 12} + Methyl Methylthiomethyl Sulfoxide or + Dimethyl Sulfoxide at 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
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