- InChI
- InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
- InChI Key
- BTGRAWJCKBQKAO-UHFFFAOYSA-N
- Formula
- C6H8N2
- SMILES
- N#CCCCCC#N
- Molecular Weight1
- 108.14
- CAS
- 111-69-3
- Other Names
-
- 1,4-DICYANOBUTANE
- ADIPIC ACID DINITRILE
- ADIPONITRILE
- Adipic acid nitrile
- Adipic dinitrile
- Adipodinitrile
- Adipyldinitrile
- HEXANEDIOIC ACID DINITRILE
- NSC 7617
- Nitrile adipico
- Tetramethylene cyanide
- Tetramethylene dicyanide
- UN 2205
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | 266.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 149.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | 84.90 ± 0.40 | kJ/mol | NIST |
| ΔfusH° | 18.03 | kJ/mol | Fusion ... |
| ΔvapH° | [64.00; 64.10] | kJ/mol |
|
| ΔvapH° | 64.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 64.10 | kJ/mol | NIST |
| log10WS | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 1.594 | Crippen Calculated Property | |
| McVol | 98.160 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 4 | KDB | |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Inp | 1090.00 | NIST | |
| Tboil | 568.20 | K | NIST |
| Tc | 748.95 | K | Joback Calculated Property |
| Tfus | 287.36 | K | Joback Calculated Property |
| Vc | 0.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.40; 248.56] | J/mol×K | [540.84; 748.95] |
|
| Cp,gas | 208.40 | J/mol×K | 540.84 | Joback Calculated Property |
| Cp,gas | 216.00 | J/mol×K | 575.53 | Joback Calculated Property |
| Cp,gas | 223.23 | J/mol×K | 610.21 | Joback Calculated Property |
| Cp,gas | 230.08 | J/mol×K | 644.90 | Joback Calculated Property |
| Cp,gas | 236.58 | J/mol×K | 679.58 | Joback Calculated Property |
| Cp,gas | 242.74 | J/mol×K | 714.27 | Joback Calculated Property |
| Cp,gas | 248.56 | J/mol×K | 748.95 | Joback Calculated Property |
| ΔfusH | 18.00 | kJ/mol | 275.00 | NIST |
| ΔvapH | 58.70 | kJ/mol | 435.50 | NIST |
| ρl | 975.26 | kg/m3 | 298.15 | Compres... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [423.82; 601.89] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.62876e+01 | |||
| Coefficient B | -6.22480e+03 | |||
| Coefficient C | -3.47660e+01 | |||
| Temperature range, min. | 423.82 | |||
| Temperature range, max. | 601.89 | |||
| Pvap | 1.33 | kPa | 423.82 | Calculated Property |
| Pvap | 2.89 | kPa | 443.61 | Calculated Property |
| Pvap | 5.84 | kPa | 463.39 | Calculated Property |
| Pvap | 11.09 | kPa | 483.18 | Calculated Property |
| Pvap | 19.93 | kPa | 502.96 | Calculated Property |
| Pvap | 34.17 | kPa | 522.75 | Calculated Property |
| Pvap | 56.18 | kPa | 542.53 | Calculated Property |
| Pvap | 88.97 | kPa | 562.32 | Calculated Property |
| Pvap | 136.29 | kPa | 582.10 | Calculated Property |
| Pvap | 202.66 | kPa | 601.89 | Calculated Property |
| Pvap | [4.75e-06; 3197.13] | kPa | [275.64; 781.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.46196e+02 | |||
| Coefficient B | -1.98500e+04 | |||
| Coefficient C | -3.33952e+01 | |||
| Coefficient D | 1.59380e-05 | |||
| Temperature range, min. | 275.64 | |||
| Temperature range, max. | 781.00 | |||
| Pvap | 4.75e-06 | kPa | 275.64 | Calculated Property |
| Pvap | 3.28e-03 | kPa | 331.79 | Calculated Property |
| Pvap | 0.19 | kPa | 387.94 | Calculated Property |
| Pvap | 2.90 | kPa | 444.09 | Calculated Property |
| Pvap | 19.09 | kPa | 500.24 | Calculated Property |
| Pvap | 77.23 | kPa | 556.40 | Calculated Property |
| Pvap | 233.32 | kPa | 612.55 | Calculated Property |
| Pvap | 596.56 | kPa | 668.70 | Calculated Property |
| Pvap | 1401.32 | kPa | 724.85 | Calculated Property |
| Pvap | 3197.13 | kPa | 781.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanedinitrile.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Fusion and solid-to-solid transitions of a homologous series of alkane-a,w-dinitriles
- Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
- Compressibility Studies of Some Copper(I), Silver(I), and Tetrabutylammonium Salts in Acetonitrile + Adiponitrile Binary Mixtures
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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.