- InChI
- InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3
- InChI Key
- IZLPZXSZLLELBJ-UHFFFAOYSA-N
- Formula
- C21H29NS2
- SMILES
-
CCCCSc1ccc(C(SCCN(C)C)c2ccccc2
)cc1 - Molecular Weight1
- 359.59
- CAS
- 486-17-9
- Other Names
-
- Ethanamine, 2-[[[4-(butylthio)phenyl]phenylmethyl]thio]-N,N-dimethyl-
- Ethylamine, 2-[[p-(butylthio)-«alpha»-phenylbenzyl]thio]-N,N-dimethyl-
- p-Butylmercaptobenzhydryl «beta»-dimethylaminoethyl sulfide
- p-Butylthiodiphenylmethyl 2-(dimethylamino)ethyl sulfide
- Captodiam
- Captodiame
- Captodiamin
- Captodramin
- Captodramine
- Covatin
- Covatix
- p-Butylmercaptobenzhydryl-«beta»-dimethylamino-ethylsulphide
- 2-((p-(Butylthio)-«alpha»-phenylbenzyl)thio)-N,N-dimethylethylamine
- Kaptodiamin
- N 68
- VUFB 2350
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 515.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 130.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.84 | kJ/mol | Joback Calculated Property |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 5.963 | Crippen Calculated Property | |
| McVol | 301.910 | ml/mol | McGowan Calculated Property |
| Pc | 1541.49 | kPa | Joback Calculated Property |
| Inp | 2774.00 | NIST | |
| Tboil | 887.78 | K | Joback Calculated Property |
| Tc | 1127.69 | K | Joback Calculated Property |
| Tfus | 478.06 | K | Joback Calculated Property |
| Vc | 1.115 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [910.63; 991.76] | J/mol×K | [887.78; 1127.69] | 
|
| Cp,gas | 910.63 | J/mol×K | 887.78 | Joback Calculated Property |
| Cp,gas | 927.54 | J/mol×K | 927.76 | Joback Calculated Property |
| Cp,gas | 942.97 | J/mol×K | 967.75 | Joback Calculated Property |
| Cp,gas | 957.01 | J/mol×K | 1007.73 | Joback Calculated Property |
| Cp,gas | 969.76 | J/mol×K | 1047.72 | Joback Calculated Property |
| Cp,gas | 981.31 | J/mol×K | 1087.70 | Joback Calculated Property |
| Cp,gas | 991.76 | J/mol×K | 1127.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Captodiamine.
Sources
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