- InChI
- InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
- InChI Key
- SGEJQUSYQTVSIU-UHFFFAOYSA-N
- Formula
- C10H21NOS
- SMILES
- CCCCN(CC)C(=O)SCCC
- Molecular Weight1
- 203.34
- CAS
- 1114-71-2
- Other Names
-
- Butylethylthiocarbamic acid S-propyl ester
- Carbamic acid, butylethylthio-, S-propyl ester
- Carbamothioic acid, N-butyl-N-ethyl-, S-propyl ester
- Carbamothioic acid, butylethyl-, S-propyl ester
- PEBC
- Propyl N-ethyl-N-butylthiocarbamate
- Propyl ethylbutylthiolcarbamate
- Propyl-ethylbutylthiocarbamate
- Propylethyl-n-butylthiocarbamate
- R-2061
- S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate
- S-Propyl butylethylthiocarbamate
- S-Propyl-N-aethyl-N-butyl-thiocarbamat
- S-Propyl-N-butyl-N-ethylthiocarbamate
- S-Propyl-N-ethyl-N-butylthiocarbamate
- Stauffer R-2061
- Tillam
- Tillam-6-E
- n-Propyl N-ethyl-N-(n-butyl)thiocarbamate
- pedulate
- 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° | 48.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.46 | kJ/mol | Joback Calculated Property |
| log10WS | [-3.53; -3.38] |
|
|
| log10WS | -3.38 | Aq. Sol... | |
| log10WS | -3.53 | Estimat... | |
| logPoct/wat | 3.372 | Crippen Calculated Property | |
| McVol | 179.660 | ml/mol | McGowan Calculated Property |
| Pc | 2267.57 | kPa | Joback Calculated Property |
| Inp | [1446.00; 1472.00] |
|
|
| Inp | 1446.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Tboil | 563.29 | K | Joback Calculated Property |
| Tc | 751.85 | K | Joback Calculated Property |
| Tfus | 319.26 | K | Joback Calculated Property |
| Vc | 0.673 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.53; 516.84] | J/mol×K | [563.29; 751.85] |
|
| Cp,gas | 435.53 | J/mol×K | 563.29 | Joback Calculated Property |
| Cp,gas | 450.89 | J/mol×K | 594.72 | Joback Calculated Property |
| Cp,gas | 465.50 | J/mol×K | 626.14 | Joback Calculated Property |
| Cp,gas | 479.38 | J/mol×K | 657.57 | Joback Calculated Property |
| Cp,gas | 492.55 | J/mol×K | 689.00 | Joback Calculated Property |
| Cp,gas | 505.03 | J/mol×K | 720.42 | Joback Calculated Property |
| Cp,gas | 516.84 | J/mol×K | 751.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pebulate.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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