- InChI
- InChI=1S/C9H11NS/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3
- InChI Key
- OPXCUUJACRRYMC-UHFFFAOYSA-N
- Formula
- C9H11NS
- SMILES
- CN(C)C(=S)c1ccccc1
- Molecular Weight1
- 165.25
- CAS
- 15482-60-7
- Other Names
-
- Benzenecarbothioamide, N,N-dimethyl-
- Benzamide, N,N-dimethylthio-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.3906 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5757.00 ± 1.40 | kJ/mol | NIST |
| ΔfG° | 365.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 136.10 ± 2.80 | kJ/mol | NIST |
| ΔfH°solid | 41.30 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 20.73 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 94.80 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 74.00 ± 4.00 | kJ/mol | NIST |
| IE | 7.70 | eV | NIST |
| log10WS | -2.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.924 | Crippen Calculated Property | |
| McVol | 135.940 | ml/mol | McGowan Calculated Property |
| Pc | 3624.61 | kPa | Joback Calculated Property |
| Tboil | 550.57 | K | Relay (1.0) Calculated Property |
| Tc | 762.08 | K | Relay (1.0) Calculated Property |
| Tfus | 326.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.486 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.80; 398.05] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.74800e+01 | |||
| Coefficient B | 1.01123e+00 | |||
| Coefficient C | -8.21000e-04 | |||
| Coefficient D | 2.65300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 209.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 248.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 281.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 309.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 333.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 352.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 369.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 384.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 398.05 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N,N-(Dimethyl)thiobenzamide.
Sources
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