- InChI
- InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
- InChI Key
- NQLVQOSNDJXLKG-UHFFFAOYSA-N
- Formula
- C14H21NOS
- SMILES
- CCCN(CCC)C(=O)SCc1ccccc1
- Molecular Weight1
- 251.39
- CAS
- 52888-80-9
- Other Names
-
- S-Benzyl dipropylthiocarbamate
- S-(Phenylmethyl) dipropylcarbamothioate
- 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 | 0.5919 | Relay (1.0) Calculated Property | |
| ΔfG° | 194.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.162 | Crippen Calculated Property | |
| McVol | 212.260 | ml/mol | McGowan Calculated Property |
| Pc | 2157.31 | kPa | Joback Calculated Property |
| Tboil | 588.30 | K | Relay (1.0) Calculated Property |
| Tc | 791.09 | K | Relay (1.0) Calculated Property |
| Tfus | 269.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.754 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.70; 648.15] | J/mol×K | [681.49; 896.34] | 
|
| Cp,gas | 564.70 | J/mol×K | 681.49 | Joback Calculated Property |
| Cp,gas | 581.21 | J/mol×K | 717.30 | Joback Calculated Property |
| Cp,gas | 596.61 | J/mol×K | 753.11 | Joback Calculated Property |
| Cp,gas | 610.96 | J/mol×K | 788.91 | Joback Calculated Property |
| Cp,gas | 624.29 | J/mol×K | 824.72 | Joback Calculated Property |
| Cp,gas | 636.68 | J/mol×K | 860.53 | Joback Calculated Property |
| Cp,gas | 648.15 | J/mol×K | 896.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Prosulfocarb.
Sources
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