- InChI
- InChI=1S/C10H14N2O2/c1-7(2)9(13,5-11)8(3,4)10(7,14)6-12/h13-14H,1-4H3
- InChI Key
- FICLSLGHSTXBNR-UHFFFAOYSA-N
- Formula
- C10H14N2O2
- SMILES
- CC1(C)C(O)(C#N)C(C)(C)C1(O)C#N
- Molecular Weight1
- 194.23
- CAS
- 116373-47-8
- 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).
- 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 | 0.6271 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -128.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.562 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Tboil | 514.28 | K | Relay (1.0) Calculated Property |
| Tc | 806.66 | K | Relay (1.0) Calculated Property |
| Tfus | 472.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.62; 578.28] | J/mol×K | [814.68; 1030.46] | 
|
| Cp,gas | 463.62 | J/mol×K | 814.68 | Joback Calculated Property |
| Cp,gas | 477.40 | J/mol×K | 850.64 | Joback Calculated Property |
| Cp,gas | 492.83 | J/mol×K | 886.61 | Joback Calculated Property |
| Cp,gas | 510.27 | J/mol×K | 922.57 | Joback Calculated Property |
| Cp,gas | 530.09 | J/mol×K | 958.54 | Joback Calculated Property |
| Cp,gas | 552.64 | J/mol×K | 994.50 | Joback Calculated Property |
| Cp,gas | 578.28 | J/mol×K | 1030.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclobutanedicarbonitrile, 1,3-dihydroxy-2,2,4,4-tetramethyl-.
Sources
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