- InChI
- InChI=1S/C15H23NOS/c1-5-16(13(4)12(2)3)15(17)18-11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3
- InChI Key
- BXEHUCNTIZGSOJ-UHFFFAOYSA-N
- Formula
- C15H23NOS
- SMILES
- CCN(C(=O)SCc1ccccc1)C(C)C(C)C
- Molecular Weight1
- 265.41
- CAS
- 85785-20-2
- Other Names
-
- Carbamothioic acid, N-(1,2-dimethylpropyl)-N-ethyl-, S-(phenylmethyl) ester
- 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 | 0.5283 | Relay (1.0) Calculated Property | |
| ΔfG° | 197.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -202.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.406 | Crippen Calculated Property | |
| McVol | 226.350 | ml/mol | McGowan Calculated Property |
| Pc | 2005.50 | kPa | Joback Calculated Property |
| Inp | [1957.00; 1967.00] |
|
|
| Inp | 1957.00 | NIST | |
| Inp | 1967.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Tboil | 580.91 | K | Relay (1.0) Calculated Property |
| Tc | 797.41 | K | Relay (1.0) Calculated Property |
| Tfus | 287.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.781 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.57; 707.19] | J/mol×K | [703.49; 922.81] |
|
| Cp,gas | 619.57 | J/mol×K | 703.49 | Joback Calculated Property |
| Cp,gas | 637.03 | J/mol×K | 740.04 | Joback Calculated Property |
| Cp,gas | 653.27 | J/mol×K | 776.60 | Joback Calculated Property |
| Cp,gas | 668.35 | J/mol×K | 813.15 | Joback Calculated Property |
| Cp,gas | 682.33 | J/mol×K | 849.71 | Joback Calculated Property |
| Cp,gas | 695.26 | J/mol×K | 886.26 | Joback Calculated Property |
| Cp,gas | 707.19 | J/mol×K | 922.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Esprocarb.
Sources
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