- InChI
- InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-11-9-10/h2-8H2,1H3
- InChI Key
- FGVYCHQRRXDRAR-UHFFFAOYSA-N
- Formula
- C9H17NS
- SMILES
- CCCCCCCCSC#N
- Molecular Weight1
- 171.30
- CAS
- 19942-78-0
- Other Names
-
- Octyl thiocyanate
- 1-Thiocyanatooctane
- n-Octyl thiocyanate
- Octyl rhodanate
- Oktylthiokyanat
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5392 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -38.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.561 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2289.32 | kPa | Joback Calculated Property |
| Tboil | 517.01 | K | Relay (1.0) Calculated Property |
| Tc | 702.32 | K | Relay (1.0) Calculated Property |
| Tfus | 252.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.20; 434.49] | J/mol×K | [576.18; 777.15] | 
|
| Cp,gas | 366.20 | J/mol×K | 576.18 | Joback Calculated Property |
| Cp,gas | 379.11 | J/mol×K | 609.68 | Joback Calculated Property |
| Cp,gas | 391.39 | J/mol×K | 643.17 | Joback Calculated Property |
| Cp,gas | 403.06 | J/mol×K | 676.67 | Joback Calculated Property |
| Cp,gas | 414.12 | J/mol×K | 710.16 | Joback Calculated Property |
| Cp,gas | 424.59 | J/mol×K | 743.66 | Joback Calculated Property |
| Cp,gas | 434.49 | J/mol×K | 777.15 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 414.70 | K | 2.50 | NIST |
Similar Compounds
Find more compounds similar to Thiocyanic acid, octyl ester.
Sources
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