- InChI
- InChI=1S/C10H21NS2/c1-4-6-8-11(9-7-5-2)10(12)13-3/h4-9H2,1-3H3
- InChI Key
- RTBHUIONIQBBGN-UHFFFAOYSA-N
- Formula
- C10H21NS2
- SMILES
- CCCCN(CCCC)C(=S)SC
- Molecular Weight1
- 219.41
- CAS
- 38351-44-9
- 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 | 0.5145 | Relay (... Calculated Property | |
| ΔfG° | 294.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.05 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.18 | kJ/mol | Relay (... Calculated Property |
| IE | 7.49 | eV | Relay (... Calculated Property |
| log10WS | -4.71 | Relay (... Calculated Property | |
| logPoct/wat | 3.537 | Crippen Calculated Property | |
| McVol | 190.140 | ml/mol | McGowan Calculated Property |
| Pc | 2331.52 | kPa | Joback Calculated Property |
| Inp | [1418.00; 1418.00] |
|
|
| Inp | 1418.00 | NIST | |
| Inp | 1418.00 | NIST | |
| Tboil | 540.78 | K | Relay (... Calculated Property |
| Tc | 728.08 | K | Relay (... Calculated Property |
| Tfus | 267.37 | K | Relay (... Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.25; 532.84] | J/mol×K | [579.46; 781.46] |
|
| Cp,gas | 452.25 | J/mol×K | 579.46 | Joback Calculated Property |
| Cp,gas | 467.73 | J/mol×K | 613.13 | Joback Calculated Property |
| Cp,gas | 482.32 | J/mol×K | 646.79 | Joback Calculated Property |
| Cp,gas | 496.08 | J/mol×K | 680.46 | Joback Calculated Property |
| Cp,gas | 509.05 | J/mol×K | 714.13 | Joback Calculated Property |
| Cp,gas | 521.29 | J/mol×K | 747.79 | Joback Calculated Property |
| Cp,gas | 532.84 | J/mol×K | 781.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamodithioic acid, dibutyl-, methyl ester.
Sources
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