- InChI
- InChI=1S/C14H30S/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3
- InChI Key
- LEMIDOZYVQXGLI-UHFFFAOYSA-N
- Formula
- C14H30S
- SMILES
- CCCCCCCSCCCCCCC
- Molecular Weight1
- 230.45
- CAS
- 629-65-2
- Other Names
-
- Heptyl sulfide
- Diheptyl sulfide
- n-Heptyl sulfide
- di-n-Heptyl sulfide
- diheptyl sulphide
- 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.
- 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° | 100.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.58 | kJ/mol | Joback Calculated Property |
| log10WS | -5.57 | Crippen Calculated Property | |
| logPoct/wat | 5.660 | Crippen Calculated Property | |
| McVol | 224.470 | ml/mol | McGowan Calculated Property |
| Pc | 1543.92 | kPa | Joback Calculated Property |
| Inp | [1674.00; 1696.00] |
|
|
| Inp | 1674.00 | NIST | |
| Inp | 1696.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Tboil | 588.50 | K | Joback Calculated Property |
| Tc | 763.97 | K | Joback Calculated Property |
| Tfus | 281.94 | K | Joback Calculated Property |
| Vc | 0.874 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.87; 674.32] | J/mol×K | [588.50; 763.97] |
|
| Cp,gas | 575.87 | J/mol×K | 588.50 | Joback Calculated Property |
| Cp,gas | 594.19 | J/mol×K | 617.74 | Joback Calculated Property |
| Cp,gas | 611.71 | J/mol×K | 646.99 | Joback Calculated Property |
| Cp,gas | 628.47 | J/mol×K | 676.23 | Joback Calculated Property |
| Cp,gas | 644.48 | J/mol×K | 705.48 | Joback Calculated Property |
| Cp,gas | 659.75 | J/mol×K | 734.72 | Joback Calculated Property |
| Cp,gas | 674.32 | J/mol×K | 763.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 1,1'-thiobis-.
Sources
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