- InChI
- InChI=1S/C13H12OS/c1-2-14-13(15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
- InChI Key
- IMSIYJBXAHWVMY-UHFFFAOYSA-N
- Formula
- C13H12OS
- SMILES
- CCOC(=S)c1cccc2ccccc12
- Molecular Weight1
- 216.30
- CAS
- 58303-26-7
- 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 | 0.5047 | Relay (1.0) Calculated Property | |
| ΔfG° | 280.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -31.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.552 | Crippen Calculated Property | |
| McVol | 168.730 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Tboil | 603.63 | K | Relay (1.0) Calculated Property |
| Tc | 850.84 | K | Relay (1.0) Calculated Property |
| Tfus | 303.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.593 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.32; 467.12] | J/mol×K | [639.94; 887.02] | 
|
| Cp,gas | 398.32 | J/mol×K | 639.94 | Joback Calculated Property |
| Cp,gas | 412.10 | J/mol×K | 681.12 | Joback Calculated Property |
| Cp,gas | 424.80 | J/mol×K | 722.30 | Joback Calculated Property |
| Cp,gas | 436.54 | J/mol×K | 763.48 | Joback Calculated Property |
| Cp,gas | 447.43 | J/mol×K | 804.66 | Joback Calculated Property |
| Cp,gas | 457.58 | J/mol×K | 845.84 | Joback Calculated Property |
| Cp,gas | 467.12 | J/mol×K | 887.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthalenecarbothioic acid, O-ethyl ester.
Sources
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