- InChI
- InChI=1S/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)
- InChI Key
- BWBONKHPVHMQHE-UHFFFAOYSA-N
- Formula
- C23H32N2O2S
- SMILES
-
CC(C)CCOc1ccc(NC(=S)Nc2ccc(OCC
C(C)C)cc2)cc1 - Molecular Weight1
- 400.58
- CAS
- 910-86-1
- Other Names
-
- Thiourea, N,N'-bis[4-(3-methylbutoxy)phenyl]-
- Carbanilide, 4,4'-bis(isopentyloxy)thio-
- 4,4'-Diisoamyloxythiocarbanilide
- Isoxyl
- Thiocarlide
- Tiocarlid
- 4,4'-Bis(isopentyloxy)thiocarbanilide
- Datanil
- DATC
- Disocarban
- 4,4'-Bis(isoamyloxy)thiocarbanilide
- 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).
- 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° | 429.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -89.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.31 | kJ/mol | Joback Calculated Property |
| log10WS | -7.17 | Crippen Calculated Property | |
| logPoct/wat | 6.345 | Crippen Calculated Property | |
| McVol | 331.160 | ml/mol | McGowan Calculated Property |
| Pc | 1377.86 | kPa | Joback Calculated Property |
| Tboil | 1003.30 | K | Joback Calculated Property |
| Tc | 1237.71 | K | Joback Calculated Property |
| Tfus | 580.90 | K | Joback Calculated Property |
| Vc | 1.238 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1070.86; 1145.79] | J/mol×K | [1003.30; 1237.71] | 
|
| Cp,gas | 1070.86 | J/mol×K | 1003.30 | Joback Calculated Property |
| Cp,gas | 1085.85 | J/mol×K | 1042.37 | Joback Calculated Property |
| Cp,gas | 1099.70 | J/mol×K | 1081.44 | Joback Calculated Property |
| Cp,gas | 1112.52 | J/mol×K | 1120.50 | Joback Calculated Property |
| Cp,gas | 1124.41 | J/mol×K | 1159.57 | Joback Calculated Property |
| Cp,gas | 1135.47 | J/mol×K | 1198.64 | Joback Calculated Property |
| Cp,gas | 1145.79 | J/mol×K | 1237.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tiocarlide.
Sources
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