- InChI
- InChI=1S/C8H10N2S2/c1-12-8(11)10-9-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,10,11)
- InChI Key
- SZCVCDOFDCMDRN-UHFFFAOYSA-N
- Formula
- C8H10N2S2
- SMILES
- CSC(=S)NNc1ccccc1
- Molecular Weight1
- 198.31
- CAS
- 50878-38-1
- Other Names
-
- 3-Phenyldithiocarbazic acid methyl ester
- 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 | 0.4463 | Relay (1.0) Calculated Property | |
| ΔfG° | 457.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 185.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | NIST |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.251 | Crippen Calculated Property | |
| McVol | 148.180 | ml/mol | McGowan Calculated Property |
| Pc | 4328.25 | kPa | Joback Calculated Property |
| Tboil | 582.32 | K | Relay (1.0) Calculated Property |
| Tc | 860.75 | K | Relay (1.0) Calculated Property |
| Tfus | 406.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.34; 394.29] | J/mol×K | [648.28; 906.30] | 
|
| Cp,gas | 338.34 | J/mol×K | 648.28 | Joback Calculated Property |
| Cp,gas | 349.89 | J/mol×K | 691.28 | Joback Calculated Property |
| Cp,gas | 360.42 | J/mol×K | 734.29 | Joback Calculated Property |
| Cp,gas | 370.02 | J/mol×K | 777.29 | Joback Calculated Property |
| Cp,gas | 378.80 | J/mol×K | 820.30 | Joback Calculated Property |
| Cp,gas | 386.86 | J/mol×K | 863.30 | Joback Calculated Property |
| Cp,gas | 394.29 | J/mol×K | 906.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydrazinecarbodithioic acid, 2-phenyl-, methyl ester.
Sources
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