- InChI
- InChI=1S/C14H30S2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-14H2,1-2H3
- InChI Key
- IFGAFLQUAVLERP-UHFFFAOYSA-N
- Formula
- C14H30S2
- SMILES
- CCCCCCCSSCCCCCCC
- Molecular Weight1
- 262.52
- CAS
- 10496-16-9
- Other Names
-
- 8,9-Dithiahexadecane
- Diheptyl disulfide
- Heptyl disulfide
- di-n-Heptyl disulfide
- diheptyl disulphide
- n-Heptyl disulfide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.6738 | Relay (1.0) Calculated Property | |
| ΔfG° | 133.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.309 | Crippen Calculated Property | |
| McVol | 240.820 | ml/mol | McGowan Calculated Property |
| Pc | 1564.75 | kPa | Joback Calculated Property |
| Tboil | 591.04 | K | Relay (1.0) Calculated Property |
| Tc | 762.61 | K | Relay (1.0) Calculated Property |
| Tfus | 267.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.922 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [643.14; 739.21] | J/mol×K | [657.28; 847.76] | 
|
| Cp,gas | 643.14 | J/mol×K | 657.28 | Joback Calculated Property |
| Cp,gas | 661.35 | J/mol×K | 689.03 | Joback Calculated Property |
| Cp,gas | 678.66 | J/mol×K | 720.77 | Joback Calculated Property |
| Cp,gas | 695.08 | J/mol×K | 752.52 | Joback Calculated Property |
| Cp,gas | 710.63 | J/mol×K | 784.27 | Joback Calculated Property |
| Cp,gas | 725.34 | J/mol×K | 816.01 | Joback Calculated Property |
| Cp,gas | 739.21 | J/mol×K | 847.76 | Joback Calculated Property |
| ΔvapH | 69.80 | kJ/mol | 544.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [450.59; 635.40] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46720e+01 | |||
| Coefficient B | -4.95320e+03 | |||
| Coefficient C | -1.06243e+02 | |||
| Temperature range, min. | 450.59 | |||
| Temperature range, max. | 635.40 | |||
| Pvap | 1.33 | kPa | 450.59 | Calculated Property |
| Pvap | 3.00 | kPa | 471.12 | Calculated Property |
| Pvap | 6.17 | kPa | 491.66 | Calculated Property |
| Pvap | 11.83 | kPa | 512.19 | Calculated Property |
| Pvap | 21.28 | kPa | 532.73 | Calculated Property |
| Pvap | 36.29 | kPa | 553.26 | Calculated Property |
| Pvap | 59.04 | kPa | 573.80 | Calculated Property |
| Pvap | 92.19 | kPa | 594.33 | Calculated Property |
| Pvap | 138.87 | kPa | 614.87 | Calculated Property |
| Pvap | 202.65 | kPa | 635.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, diheptyl.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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