![Tricyclo[7.3.0.0(3,8)]dodec-1(9)-en-12-one, 2,2-dicyano, cis-](/cid/115-755-6/Tricyclo-7-3-0-0-3-8-dodec-1-9-en-12-one-2-2-dicyano-cis.png "Tricyclo[7.3.0.0(3,8)]dodec-1(9)-en-12-one, 2,2-dicyano, cis-")
- InChI
- InChI=1S/C14H14N2O/c15-7-14(8-16)11-4-2-1-3-9(11)10-5-6-12(17)13(10)14/h9,11H,1-6H2
- InChI Key
- YTDGQCZUJWOVNZ-UHFFFAOYSA-N
- Formula
- C14H14N2O
- SMILES
-
N#CC1(C#N)C2=C(CCC2=O)C2CCCCC2
1 - Molecular Weight1
- 226.27
- Other Names
-
- Tricyclo[7.3.0.0(3,8)]dodec-1(9)-en-12-one,2,2-dicyano, (Z)
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4841 | Relay (... Calculated Property | |
| ΔfG° | 361.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 235.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.93 | kJ/mol | Relay (... Calculated Property |
| IE | 9.34 | eV | Relay (... Calculated Property |
| log10WS | -3.89 | Relay (... Calculated Property | |
| logPoct/wat | 2.499 | Crippen Calculated Property | |
| McVol | 175.570 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [2049.00; 2049.00] |
|
|
| Inp | 2049.00 | NIST | |
| Inp | 2049.00 | NIST | |
| Tboil | 580.98 | K | Relay (... Calculated Property |
| Tc | 891.05 | K | Relay (... Calculated Property |
| Tfus | 411.37 | K | Relay (... Calculated Property |
| Vc | 0.593 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.35; 645.70] | J/mol×K | [834.09; 1097.05] |
|
| Cp,gas | 548.35 | J/mol×K | 834.09 | Joback Calculated Property |
| Cp,gas | 564.21 | J/mol×K | 877.92 | Joback Calculated Property |
| Cp,gas | 579.88 | J/mol×K | 921.74 | Joback Calculated Property |
| Cp,gas | 595.62 | J/mol×K | 965.57 | Joback Calculated Property |
| Cp,gas | 611.67 | J/mol×K | 1009.39 | Joback Calculated Property |
| Cp,gas | 628.28 | J/mol×K | 1053.22 | Joback Calculated Property |
| Cp,gas | 645.70 | J/mol×K | 1097.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tricyclo[7.3.0.0(3,8)]dodec-1(9)-en-12-one, 2,2-dicyano, cis-.
Sources
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