- InChI
- InChI=1S/C29H60S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(31-3)28-30-2/h29H,4-28H2,1-3H3
- InChI Key
- PBEZLURWEZPKNP-UHFFFAOYSA-N
- Formula
- C29H60S2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCC(CSC
)SC - Molecular Weight1
- 472.92
- 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 | 1.1526 | Relay (1.0) Calculated Property | |
| ΔfG° | 257.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 155.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.463 | Crippen Calculated Property | |
| McVol | 452.170 | ml/mol | McGowan Calculated Property |
| Pc | 637.69 | kPa | Joback Calculated Property |
| Inp | [3525.00; 3525.00] |
|
|
| Inp | 3525.00 | NIST | |
| Inp | 3525.00 | NIST | |
| Tboil | 682.40 | K | Relay (1.0) Calculated Property |
| Tc | 870.70 | K | Relay (1.0) Calculated Property |
| Tfus | 324.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.708 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1569.21; 1685.51] | J/mol×K | [1000.04; 1232.26] |
|
| Cp,gas | 1569.21 | J/mol×K | 1000.04 | Joback Calculated Property |
| Cp,gas | 1592.84 | J/mol×K | 1038.74 | Joback Calculated Property |
| Cp,gas | 1614.64 | J/mol×K | 1077.45 | Joback Calculated Property |
| Cp,gas | 1634.71 | J/mol×K | 1116.15 | Joback Calculated Property |
| Cp,gas | 1653.15 | J/mol×K | 1154.85 | Joback Calculated Property |
| Cp,gas | 1670.05 | J/mol×K | 1193.56 | Joback Calculated Property |
| Cp,gas | 1685.51 | J/mol×K | 1232.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosane, 1,2-bis(methylthio).
Sources
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