- InChI
- InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
- InChI Key
- DUYAAUVXQSMXQP-UHFFFAOYSA-N
- Formula
- C2H4OS
- SMILES
- CC(=O)S
- Molecular Weight1
- 76.12
- CAS
- 507-09-5
- Other Names
-
- Methanecarbothiolic acid
- Thioacetic S-acid
- Ethanethioic acid
- Acetyl mercaptan
- Ethanethiolic acid
- Thiacetic acid
- Thiolacetic acid
- Thionoacetic acid
- CH3COSH
- Kyselina thiooctova
- UN 2436
- USAF EK-P-737
- Acetic acid, thio-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -1741.50 | kJ/mol | NIST |
| ΔfG° | -133.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.71 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-219.30; -216.50] | kJ/mol |
|
| ΔfH°liquid | -219.30 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | -216.50 ± 0.59 | kJ/mol | NIST |
| ΔfusH° | 6.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.53 | kJ/mol | Joback Calculated Property |
| IE | 10.06 | eV | NIST |
| log10WS | -0.51 | Crippen Calculated Property | |
| logPoct/wat | 0.463 | Crippen Calculated Property | |
| McVol | 56.960 | ml/mol | McGowan Calculated Property |
| Pc | 6075.01 | kPa | Joback Calculated Property |
| I | [1124.00; 1124.00] |
|
|
| I | 1124.00 | NIST | |
| I | 1124.00 | NIST | |
| Tboil | 361.89 | K | Joback Calculated Property |
| Tc | 570.61 | K | Joback Calculated Property |
| Tfus | 198.69 | K | Joback Calculated Property |
| Vc | 0.207 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [82.03; 106.34] | J/mol×K | [361.89; 570.61] |
|
| Cp,gas | 82.03 | J/mol×K | 361.89 | Joback Calculated Property |
| Cp,gas | 86.54 | J/mol×K | 396.68 | Joback Calculated Property |
| Cp,gas | 90.87 | J/mol×K | 431.46 | Joback Calculated Property |
| Cp,gas | 95.01 | J/mol×K | 466.25 | Joback Calculated Property |
| Cp,gas | 98.96 | J/mol×K | 501.03 | Joback Calculated Property |
| Cp,gas | 102.74 | J/mol×K | 535.82 | Joback Calculated Property |
| Cp,gas | 106.34 | J/mol×K | 570.61 | Joback Calculated Property |
| ΔvapH | 35.20 | kJ/mol | 333.50 | NIST |
Similar Compounds
Find more compounds similar to Thioacetic acid.
Sources
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