- InChI
- InChI=1S/C18H38S/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
- InChI Key
- KMKSVAGOBVUFRO-UHFFFAOYSA-N
- Formula
- C18H38S
- SMILES
- CCCCCCCCCSCCCCCCCCC
- Molecular Weight1
- 286.56
- CAS
- 929-98-6
- Other Names
-
- diNonyl sulfide
- diNonyl sulphide
- 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 | 0.7914 | Relay (1.0) Calculated Property | |
| ΔfG° | 133.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.221 | Crippen Calculated Property | |
| McVol | 280.830 | ml/mol | McGowan Calculated Property |
| Pc | 1165.63 | kPa | Joback Calculated Property |
| Inp | [2068.00; 2091.00] |
|
|
| Inp | 2068.00 | NIST | |
| Inp | 2089.00 | NIST | |
| Inp | 2091.00 | NIST | |
| Inp | 2068.00 | NIST | |
| Inp | 2091.00 | NIST | |
| Tboil | 596.49 | K | Relay (1.0) Calculated Property |
| Tc | 772.42 | K | Relay (1.0) Calculated Property |
| Tfus | 289.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.105 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.83; 974.56] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.12600e+00 | |||
| Coefficient B | 1.70823e+00 | |||
| Coefficient C | -9.15200e-04 | |||
| Coefficient D | 1.75400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 407.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 503.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 590.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 667.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 736.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 797.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 851.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 898.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 939.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 974.56 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to di-n-Nonyl sulfide.
Sources
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