- InChI
- InChI=1S/C12H26S/c1-3-5-6-7-8-9-10-11-12-13-4-2/h3-12H2,1-2H3
- InChI Key
- VSSRSPLEFYQIEK-UHFFFAOYSA-N
- Formula
- C12H26S
- SMILES
- CCCCCCCCCCSCC
- Molecular Weight1
- 202.40
- CAS
- 19313-61-2
- Other Names
-
- 3-Thiatridecane
- 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.
- Ip : 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 | 0.5659 | Relay (1.0) Calculated Property | |
| ΔfG° | 83.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.880 | Crippen Calculated Property | |
| McVol | 196.290 | ml/mol | McGowan Calculated Property |
| Pc | 1806.16 | kPa | Joback Calculated Property |
| Inp | [1493.00; 1493.00] |
|
|
| Inp | 1493.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Ip | [1710.00; 1710.00] |
|
|
| Ip | 1710.00 | NIST | |
| Ip | 1710.00 | NIST | |
| Tboil | 530.99 | K | Relay (1.0) Calculated Property |
| Tc | 715.47 | K | Relay (1.0) Calculated Property |
| Tfus | 257.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.55; 665.01] | 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 | 1.15800e+01 | |||
| Coefficient B | 1.13823e+00 | |||
| Coefficient C | -5.88800e-04 | |||
| Coefficient D | 1.04000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 280.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 345.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 403.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 456.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 502.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 544.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 581.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 613.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 641.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 665.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [405.01; 551.54] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.61036e+01 | |||
| Coefficient B | -4.97854e+03 | |||
| Coefficient C | -9.02300e+01 | |||
| Temperature range, min. | 405.01 | |||
| Temperature range, max. | 551.54 | |||
| Pvap | 1.33 | kPa | 405.01 | Calculated Property |
| Pvap | 2.90 | kPa | 421.29 | Calculated Property |
| Pvap | 5.87 | kPa | 437.57 | Calculated Property |
| Pvap | 11.16 | kPa | 453.85 | Calculated Property |
| Pvap | 20.06 | kPa | 470.13 | Calculated Property |
| Pvap | 34.38 | kPa | 486.42 | Calculated Property |
| Pvap | 56.46 | kPa | 502.70 | Calculated Property |
| Pvap | 89.28 | kPa | 518.98 | Calculated Property |
| Pvap | 136.54 | kPa | 535.26 | Calculated Property |
| Pvap | 202.65 | kPa | 551.54 | Calculated Property |
Similar Compounds
Find more compounds similar to N-Decyl ethyl 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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