- InChI
- InChI=1S/C11H23NO2S/c1-2-3-4-5-6-7-8-12-10(9-15)11(13)14/h10,12,15H,2-9H2,1H3,(H,13,14)
- InChI Key
- ODUXJJSEHOSSRB-UHFFFAOYSA-N
- Formula
- C11H23NO2S
- SMILES
- CCCCCCCCNC(CS)C(=O)O
- Molecular Weight1
- 233.37
- CAS
- 133294-14-1
- 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 | 0.8679 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.320 | Crippen Calculated Property | |
| McVol | 199.620 | ml/mol | McGowan Calculated Property |
| Pc | 2417.12 | kPa | Joback Calculated Property |
| Tboil | 593.36 | K | Relay (1.0) Calculated Property |
| Tc | 794.55 | K | Relay (1.0) Calculated Property |
| Tfus | 390.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.75; 628.17] | J/mol×K | [709.72; 895.61] | 
|
| Cp,gas | 559.75 | J/mol×K | 709.72 | Joback Calculated Property |
| Cp,gas | 572.79 | J/mol×K | 740.70 | Joback Calculated Property |
| Cp,gas | 585.15 | J/mol×K | 771.68 | Joback Calculated Property |
| Cp,gas | 596.84 | J/mol×K | 802.67 | Joback Calculated Property |
| Cp,gas | 607.89 | J/mol×K | 833.65 | Joback Calculated Property |
| Cp,gas | 618.33 | J/mol×K | 864.63 | Joback Calculated Property |
| Cp,gas | 628.17 | J/mol×K | 895.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cysteine, n-octyl-.
Sources
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