- InChI
- InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3
- InChI Key
- BFCDFTHTSVTWOG-UHFFFAOYSA-N
- Formula
- C20H35NOS
- SMILES
-
CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)
cc1 - Molecular Weight1
- 337.56
- CAS
- 54063-56-8
- 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).
- 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 | 0.9063 | Relay (1.0) Calculated Property | |
| ΔfG° | 198.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.559 | Crippen Calculated Property | |
| McVol | 301.100 | ml/mol | McGowan Calculated Property |
| Pc | 1396.46 | kPa | Joback Calculated Property |
| Tboil | 648.87 | K | Relay (1.0) Calculated Property |
| Tc | 859.17 | K | Relay (1.0) Calculated Property |
| Tfus | 394.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.082 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.18; 1050.28] | J/mol×K | [898.47; 1106.19] | 
|
| Cp,gas | 969.18 | J/mol×K | 898.47 | Joback Calculated Property |
| Cp,gas | 985.30 | J/mol×K | 933.09 | Joback Calculated Property |
| Cp,gas | 1000.31 | J/mol×K | 967.71 | Joback Calculated Property |
| Cp,gas | 1014.25 | J/mol×K | 1002.33 | Joback Calculated Property |
| Cp,gas | 1027.19 | J/mol×K | 1036.95 | Joback Calculated Property |
| Cp,gas | 1039.19 | J/mol×K | 1071.57 | Joback Calculated Property |
| Cp,gas | 1050.28 | J/mol×K | 1106.19 | Joback Calculated Property |
Similar Compounds
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Sources
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