- InChI
- InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
- InChI Key
- BMTAFVWTTFSTOG-UHFFFAOYSA-N
- Formula
- C11H23NOS
- SMILES
- CCSC(=O)N(CC(C)C)CC(C)C
- Molecular Weight1
- 217.37
- CAS
- 2008-41-5
- Other Names
-
- Anelda
- Bis(2-methylpropyl)carbamothioic acid S-ethyl ester
- Butilate
- Butylate
- Carbamic acid, diisobutylthio-, S-ethyl ester
- Carbamothioic acid, N,N-bis(2-methylpropyl)-, S-ethyl ester
- Diisobutylthiocarbamic acid S-ethyl ester
- Diisocarb
- Ethyl N,N-diisobutylthiocarbamate
- Ethyl N,N-diisobutylthiolcarbamate
- R 1910
- S-Ethyl N,N-diisobutyl thiocarbamate
- S-Ethyl N,N-diisobutyl thiolcarbamate
- S-Ethyl bis(2-methylpropyl)carbamothioate
- Stauffer R-1,910
- Stauffer R-1910
- Sutan
- s-Ethyl diisobutyl thiocarbamate
- 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 | 0.5225 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.68; -3.68] |
|
|
| log10WS | -3.68 | Aq. Solubility Prediction | |
| log10WS | -3.68 | Estimated Solubility | |
| logPoct/wat | 3.474 | Crippen Calculated Property | |
| McVol | 193.750 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | [1411.00; 1438.00] |
|
|
| Inp | 1411.00 | NIST | |
| Inp | 1438.00 | NIST | |
| Inp | 1411.00 | NIST | |
| Tboil | 525.53 | K | Relay (1.0) Calculated Property |
| Tc | 687.17 | K | Relay (1.0) Calculated Property |
| Tfus | 264.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.98; 573.69] | J/mol×K | [585.29; 778.91] |
|
| Cp,gas | 485.98 | J/mol×K | 585.29 | Joback Calculated Property |
| Cp,gas | 502.67 | J/mol×K | 617.56 | Joback Calculated Property |
| Cp,gas | 518.50 | J/mol×K | 649.83 | Joback Calculated Property |
| Cp,gas | 533.49 | J/mol×K | 682.10 | Joback Calculated Property |
| Cp,gas | 547.67 | J/mol×K | 714.37 | Joback Calculated Property |
| Cp,gas | 561.06 | J/mol×K | 746.64 | Joback Calculated Property |
| Cp,gas | 573.69 | J/mol×K | 778.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamothioic acid, bis(2-methylpropyl)-, S-ethyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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