- InChI
- InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3
- InChI Key
- HFRUNLRFNNTTPQ-UHFFFAOYSA-N
- Formula
- C4H8S3
- SMILES
- CC1SSC(C)S1
- Molecular Weight1
- 152.30
- CAS
- 23654-92-4
- Other Names
-
- 2,5-Dimethyl-1,3,4-trithiolane
- 3,5-Dimethyl-1,2,4-trithiolane
- 3,5-Dimethyl-1,2,4-trithiolan
- 3,5-Methylethyl-1,2,4-trithiolane
- 3,5-dimethyl-1,2,-trithiolane, isomer 1
- 3,5-dimethyl-1,2,-trithiolane, isomer 2
- 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).
- Inp : Non-polar retention indices.
- 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° | 131.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 50.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.88 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 2.807 | Crippen Calculated Property | |
| McVol | 105.410 | ml/mol | McGowan Calculated Property |
| Pc | 4608.87 | kPa | Joback Calculated Property |
| Inp | [1097.00; 1189.10] |
|
|
| Inp | 1172.00 | NIST | |
| Inp | Outlier 1189.10 | NIST | |
| Inp | 1101.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1160.00 | NIST | |
| I | [1570.00; 1642.00] |
|
|
| I | 1610.00 | NIST | |
| I | 1631.00 | NIST | |
| I | 1602.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1623.00 | NIST | |
| I | 1642.00 | NIST | |
| I | 1583.00 | NIST | |
| I | 1617.00 | NIST | |
| I | 1618.00 | NIST | |
| I | 1597.00 | NIST | |
| I | 1570.00 | NIST | |
| Tboil | 445.02 | K | Joback Calculated Property |
| Tc | 698.77 | K | Joback Calculated Property |
| Tfus | 391.85 | K | Joback Calculated Property |
| Vc | 0.338 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.82; 250.21] | J/mol×K | [445.02; 698.77] |
|
| Cp,gas | 189.82 | J/mol×K | 445.02 | Joback Calculated Property |
| Cp,gas | 201.68 | J/mol×K | 487.31 | Joback Calculated Property |
| Cp,gas | 212.78 | J/mol×K | 529.60 | Joback Calculated Property |
| Cp,gas | 223.15 | J/mol×K | 571.90 | Joback Calculated Property |
| Cp,gas | 232.82 | J/mol×K | 614.19 | Joback Calculated Property |
| Cp,gas | 241.83 | J/mol×K | 656.48 | Joback Calculated Property |
| Cp,gas | 250.21 | J/mol×K | 698.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Trithiolane, 3,5-dimethyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.