- InChI
- InChI=1S/C31H64S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(33-3)30-32-2/h31H,4-30H2,1-3H3
- InChI Key
- KRQSDOFHULILLQ-UHFFFAOYSA-N
- Formula
- C31H64S2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C
SC)SC - Molecular Weight1
- 500.97
- 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 | 1.2227 | Relay (1.0) Calculated Property | |
| ΔfG° | 273.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 80.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 165.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.244 | Crippen Calculated Property | |
| McVol | 480.350 | ml/mol | McGowan Calculated Property |
| Pc | 580.08 | kPa | Joback Calculated Property |
| Inp | [3726.00; 3726.00] |
|
|
| Inp | 3726.00 | NIST | |
| Inp | 3726.00 | NIST | |
| Tboil | 694.73 | K | Relay (1.0) Calculated Property |
| Tc | 882.13 | K | Relay (1.0) Calculated Property |
| Tfus | 328.23 | K | Relay (1.0) Calculated Property |
| Vc | 1.817 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1702.06; 1822.90] | J/mol×K | [1045.80; 1299.71] |
|
| Cp,gas | 1702.06 | J/mol×K | 1045.80 | Joback Calculated Property |
| Cp,gas | 1727.11 | J/mol×K | 1088.12 | Joback Calculated Property |
| Cp,gas | 1750.01 | J/mol×K | 1130.44 | Joback Calculated Property |
| Cp,gas | 1770.90 | J/mol×K | 1172.76 | Joback Calculated Property |
| Cp,gas | 1789.92 | J/mol×K | 1215.07 | Joback Calculated Property |
| Cp,gas | 1807.21 | J/mol×K | 1257.39 | Joback Calculated Property |
| Cp,gas | 1822.90 | J/mol×K | 1299.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonacosane, 1,2-bis(methylthio).
Sources
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