- InChI
- InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h2-12H2,1H3
- InChI Key
- RYZZMYXTNUJGMU-UHFFFAOYSA-N
- Formula
- C13H25NS
- SMILES
- CCCCCCCCCCCCSC#N
- Molecular Weight1
- 227.41
- CAS
- 765-15-1
- Other Names
-
- n-Dodecyl thiocyanate
- Dodecane, 1-thiocyanato-
- ENT 114
- Lauryl rhodanate
- Lauryl thiocyanate
- Lorol thiocyanate
- LORO
- Thiocyanic acid, dodecyl ester
- Laurylrhodanide
- Laurylthiokyanat
- 1-Dodecyl thiocyanate
- NSC 1481
- 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 | 0.6832 | Relay (1.0) Calculated Property | |
| ΔfG° | 224.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -128.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.122 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 1633.81 | kPa | Joback Calculated Property |
| Tboil | 568.75 | K | Relay (1.0) Calculated Property |
| Tc | 766.68 | K | Relay (1.0) Calculated Property |
| Tfus | 286.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.810 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.14; 693.08] | 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 | 2.76710e+01 | |||
| Coefficient B | 1.16801e+00 | |||
| Coefficient C | -6.12200e-04 | |||
| Coefficient D | 1.09600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 303.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 369.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 428.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 482.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 529.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 571.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 608.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 641.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 669.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 693.08 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Dodecyl thiocyanate.
Sources
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