- InChI
- InChI=1S/C11H24S/c1-3-5-6-7-8-9-11-12-10-4-2/h3-11H2,1-2H3
- InChI Key
- GPJXDRJGQAKGLH-UHFFFAOYSA-N
- Formula
- C11H24S
- SMILES
- CCCCCCCCSCCC
- Molecular Weight1
- 188.38
- CAS
- 3698-93-9
- Other Names
-
- 4-Thiadodecane
- Octyl propyl sulfide
- Sulfide, octyl propyl
- 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 | 0.5296 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.490 | Crippen Calculated Property | |
| McVol | 182.200 | ml/mol | McGowan Calculated Property |
| Pc | 1963.07 | kPa | Joback Calculated Property |
| Inp | [1382.00; 1382.00] |
|
|
| Inp | 1382.00 | NIST | |
| Inp | 1382.00 | NIST | |
| Ip | 1592.00 | NIST | |
| Tboil | 510.08 | K | Relay (1.0) Calculated Property |
| Tc | 702.64 | K | Relay (1.0) Calculated Property |
| Tfus | 238.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.34; 613.42] | 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 | 1.24890e+01 | |||
| Coefficient B | 1.04323e+00 | |||
| Coefficient C | -5.34400e-04 | |||
| Coefficient D | 9.21000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 259.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 318.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 372.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 420.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 463.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 502.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 536.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 565.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 591.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 613.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [390.45; 533.89] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.60036e+01 | |||
| Coefficient B | -4.79775e+03 | |||
| Coefficient C | -8.51710e+01 | |||
| Temperature range, min. | 390.45 | |||
| Temperature range, max. | 533.89 | |||
| Pvap | 1.33 | kPa | 390.45 | Calculated Property |
| Pvap | 2.91 | kPa | 406.39 | Calculated Property |
| Pvap | 5.89 | kPa | 422.33 | Calculated Property |
| Pvap | 11.20 | kPa | 438.26 | Calculated Property |
| Pvap | 20.14 | kPa | 454.20 | Calculated Property |
| Pvap | 34.50 | kPa | 470.14 | Calculated Property |
| Pvap | 56.62 | kPa | 486.08 | Calculated Property |
| Pvap | 89.47 | kPa | 502.01 | Calculated Property |
| Pvap | 136.70 | kPa | 517.95 | Calculated Property |
| Pvap | 202.66 | kPa | 533.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 1-(propylthio)-.
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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