- InChI
- InChI=1S/C10H22OS/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3
- InChI Key
- KXPXKNBDCUOENF-UHFFFAOYSA-N
- Formula
- C10H22OS
- SMILES
- CCCCCCCCSCCO
- Molecular Weight1
- 190.35
- CAS
- 3547-33-9
- Other Names
-
- 2-(Octylthio)ethanol
- 2-(Oktylthio)ethanol
- 2-Hydroxyethyl n-octyl sulfide
- 2-Hydroxyethyl octyl sulfide
- MGK 874
- MGK Repellent 874
- MGK repellent R-874
- NSC 163967
- R-874
- r-874 Phillips
- «beta»-Hydroxyethyl n-octyl sulfide
- 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 | 0.7771 | Relay (1.0) Calculated Property | |
| ΔfG° | -70.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.072 | Crippen Calculated Property | |
| McVol | 173.980 | ml/mol | McGowan Calculated Property |
| Pc | 2336.03 | kPa | Joback Calculated Property |
| Inp | [1562.00; 1562.00] |
|
|
| Inp | 1562.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Tboil | 554.17 | K | Relay (1.0) Calculated Property |
| Tc | 756.57 | K | Relay (1.0) Calculated Property |
| Tfus | 270.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.643 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.62; 580.50] | 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 | 1.86890e+01 | |||
| Coefficient B | 9.82210e-01 | |||
| Coefficient C | -5.10400e-04 | |||
| Coefficient D | 9.00000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 250.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 306.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 356.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 401.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 441.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 477.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 509.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 536.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 560.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 580.50 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, 2-(octylthio)-.
Sources
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