- InChI
- InChI=1S/C6H7N/c1-5-2-6(3-5)4-7/h6H,1-3H2
- InChI Key
- ZRWMAMOBIQQJSA-UHFFFAOYSA-N
- Formula
- C6H7N
- SMILES
- C=C1CC(C#N)C1
- Molecular Weight1
- 93.13
- CAS
- 15760-35-7
- Other Names
-
- Cyclobutanecarbonitrile,3-methylene-,
- 3-Methylenecyclobutane-carbonitrile
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3569.40 ± 2.10 | kJ/mol | NIST |
| ΔfG° | 234.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 252.40 | kJ/mol | NIST |
| ΔfH°liquid | 207.90 | kJ/mol | NIST |
| ΔfusH° | 7.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [44.50; 44.56] | kJ/mol |
|
| ΔvapH° | 44.56 | kJ/mol | NIST |
| ΔvapH° | 44.50 | kJ/mol | NIST |
| log10WS | -1.71 | Crippen Calculated Property | |
| logPoct/wat | 1.476 | Crippen Calculated Property | |
| McVol | 81.620 | ml/mol | McGowan Calculated Property |
| Pc | 3695.46 | kPa | Joback Calculated Property |
| Tboil | 448.93 | K | Joback Calculated Property |
| Tc | 663.99 | K | Joback Calculated Property |
| Tfus | 250.47 | K | Joback Calculated Property |
| Vc | 0.331 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.75; 206.81] | J/mol×K | [448.93; 663.99] |
|
| Cp,gas | 157.75 | J/mol×K | 448.93 | Joback Calculated Property |
| Cp,gas | 167.23 | J/mol×K | 484.77 | Joback Calculated Property |
| Cp,gas | 176.15 | J/mol×K | 520.62 | Joback Calculated Property |
| Cp,gas | 184.55 | J/mol×K | 556.46 | Joback Calculated Property |
| Cp,gas | 192.44 | J/mol×K | 592.31 | Joback Calculated Property |
| Cp,gas | 199.85 | J/mol×K | 628.15 | Joback Calculated Property |
| Cp,gas | 206.81 | J/mol×K | 663.99 | Joback Calculated Property |
| Cp,liquid | 190.90 | J/mol×K | 297.00 | NIST |
| ΔvapH | 45.90 | kJ/mol | 391.50 | NIST |
Similar Compounds
Find more compounds similar to 3-Methylenecyclobutanenitrile.
Sources
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