- InChI
- InChI=1S/C10H22S/c1-3-5-6-7-8-9-10-11-4-2/h3-10H2,1-2H3
- InChI Key
- WAITXWGCJQLPGH-UHFFFAOYSA-N
- Formula
- C10H22S
- SMILES
- CCCCCCCCSCC
- Molecular Weight1
- 174.35
- CAS
- 3698-94-0
- Other Names
-
- 3-Thiaundecane
- 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).
- Pvap : Vapor 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 | 0.4867 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.100 | Crippen Calculated Property | |
| McVol | 168.110 | ml/mol | McGowan Calculated Property |
| Pc | 2141.36 | kPa | Joback Calculated Property |
| Inp | 1293.00 | NIST | |
| Tboil | 496.31 | K | Relay (1.0) Calculated Property |
| Tc | 681.52 | K | Relay (1.0) Calculated Property |
| Tfus | 239.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.94; 461.02] | J/mol×K | [496.98; 678.93] | 
|
| Cp,gas | 375.94 | J/mol×K | 496.98 | Joback Calculated Property |
| Cp,gas | 391.70 | J/mol×K | 527.30 | Joback Calculated Property |
| Cp,gas | 406.81 | J/mol×K | 557.63 | Joback Calculated Property |
| Cp,gas | 421.28 | J/mol×K | 587.95 | Joback Calculated Property |
| Cp,gas | 435.13 | J/mol×K | 618.28 | Joback Calculated Property |
| Cp,gas | 448.38 | J/mol×K | 648.60 | Joback Calculated Property |
| Cp,gas | 461.02 | J/mol×K | 678.93 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [380.43; 513.53] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.65879e+01 | |||
| Coefficient B | -4.86959e+03 | |||
| Coefficient C | -8.16900e+01 | |||
| Temperature range, min. | 380.43 | |||
| Temperature range, max. | 513.53 | |||
| Pvap | 1.33 | kPa | 380.43 | Calculated Property |
| Pvap | 2.88 | kPa | 395.22 | Calculated Property |
| Pvap | 5.79 | kPa | 410.01 | Calculated Property |
| Pvap | 10.97 | kPa | 424.80 | Calculated Property |
| Pvap | 19.72 | kPa | 439.59 | Calculated Property |
| Pvap | 33.84 | kPa | 454.37 | Calculated Property |
| Pvap | 55.72 | kPa | 469.16 | Calculated Property |
| Pvap | 88.45 | kPa | 483.95 | Calculated Property |
| Pvap | 135.87 | kPa | 498.74 | Calculated Property |
| Pvap | 202.67 | kPa | 513.53 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl n-octyl sulfide.
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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