- InChI
- InChI=1S/C6H12S3/c1-5-4-8-9-6(2)3-7-5/h5-6H,3-4H2,1-2H3
- InChI Key
- ZCMNBFXDJDOYHK-UHFFFAOYSA-N
- Formula
- C6H12S3
- SMILES
- CC1CSSC(C)CS1
- Molecular Weight1
- 180.35
- Other Names
-
- 1,2,5-Trithiepane, 3,6-dimethyl
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.2485 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -53.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.892 | Crippen Calculated Property | |
| McVol | 133.590 | ml/mol | McGowan Calculated Property |
| Pc | 3834.03 | kPa | Joback Calculated Property |
| Inp | [1443.00; 1445.00] |
|
|
| Inp | 1445.00 | NIST | |
| Inp | 1443.00 | NIST | |
| Tboil | 534.70 | K | Relay (1.0) Calculated Property |
| Tc | 758.48 | K | Relay (1.0) Calculated Property |
| Tfus | 283.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.66; 355.05] | J/mol×K | [499.32; 764.15] |
|
| Cp,gas | 269.66 | J/mol×K | 499.32 | Joback Calculated Property |
| Cp,gas | 286.52 | J/mol×K | 543.46 | Joback Calculated Property |
| Cp,gas | 302.30 | J/mol×K | 587.60 | Joback Calculated Property |
| Cp,gas | 317.02 | J/mol×K | 631.74 | Joback Calculated Property |
| Cp,gas | 330.71 | J/mol×K | 675.88 | Joback Calculated Property |
| Cp,gas | 343.38 | J/mol×K | 720.01 | Joback Calculated Property |
| Cp,gas | 355.05 | J/mol×K | 764.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,6-dimethyl-1,2,5-trithiepane.
Sources
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