- InChI
- InChI=1S/C10H16N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-4,7-10H2
- InChI Key
- RCRNVWKZQROUJM-UHFFFAOYSA-N
- Formula
- C10H16N2O2
- SMILES
- N#CCCOCCCCOCCC#N
- Molecular Weight1
- 196.25
- CAS
- 18664-94-3
- Other Names
-
- 3,3'-Tetramethylene-di-oxydipropionitrile
- 3,3'-[butane-1,4-diylbis(oxy)]bispropiononitrile
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -216.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.49 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.627 | Crippen Calculated Property | |
| McVol | 166.260 | ml/mol | McGowan Calculated Property |
| Tboil | 574.06 | K | Relay (1.0) Calculated Property |
| Tfus | 265.30 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.18; 525.20] | 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 | 7.87980e+01 | |||
| Coefficient B | 6.97000e-01 | |||
| Coefficient C | -2.36200e-04 | |||
| Coefficient D | -1.44000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 251.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 295.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 335.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 373.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 407.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 437.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 465.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 488.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 508.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 525.20 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,9-Dioxa-1,12-dodecanedinitrile.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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