- InChI
- InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2
- InChI Key
- IFVYHJRLWCUVBB-UHFFFAOYSA-N
- Formula
- C4H5NS
- SMILES
- C=CCSC#N
- Molecular Weight1
- 99.15
- CAS
- 764-49-8
- Other Names
-
- Allylrhodanid
- Allyl thiocyanate
- Thiocyanic acid, allyl ester
- 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).
- 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).
- I : 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° | 236.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 206.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.12 | kJ/mol | Joback Calculated Property |
| log10WS | -1.60 | Crippen Calculated Property | |
| logPoct/wat | 1.387 | Crippen Calculated Property | |
| McVol | 80.650 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| I | [1440.00; 1440.00] |
|
|
| I | 1440.00 | NIST | |
| I | 1440.00 | NIST | |
| Tboil | 458.46 | K | Joback Calculated Property |
| Tc | 680.21 | K | Joback Calculated Property |
| Tfus | 232.47 | K | Joback Calculated Property |
| Vc | 0.321 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.52; 171.10] | J/mol×K | [458.46; 680.21] |
|
| Cp,gas | 138.52 | J/mol×K | 458.46 | Joback Calculated Property |
| Cp,gas | 144.72 | J/mol×K | 495.42 | Joback Calculated Property |
| Cp,gas | 150.61 | J/mol×K | 532.38 | Joback Calculated Property |
| Cp,gas | 156.18 | J/mol×K | 569.33 | Joback Calculated Property |
| Cp,gas | 161.45 | J/mol×K | 606.29 | Joback Calculated Property |
| Cp,gas | 166.42 | J/mol×K | 643.25 | Joback Calculated Property |
| Cp,gas | 171.10 | J/mol×K | 680.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiocyanic acid, 2-propenyl ester.
Sources
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