- InChI
- InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
- InChI Key
- KQWGXHWJMSMDJJ-UHFFFAOYSA-N
- Formula
- C7H11NO
- SMILES
- O=C=NC1CCCCC1
- Molecular Weight1
- 125.17
- CAS
- 3173-53-3
- Other Names
-
- Cyclohexyl ester of isocyanic acid
- Cyclohexyl isocyanate
- Cyclohexylisocyanate
- ISOCYANATOCYCLOHEXANE
- Isocyanic acid, cyclohexyl ester
- NSC 87419
- UN 2488
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -138.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.14 | kJ/mol | Joback Calculated Property |
| log10WS | -6.26 | Crippen Calculated Property | |
| logPoct/wat | 1.655 | Crippen Calculated Property | |
| McVol | 105.880 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Inp | 1216.00 | NIST | |
| Tboil | 445.78 | K | Joback Calculated Property |
| Tc | 661.40 | K | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [330.70; 556.85] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.14239e+01 | |||
| Coefficient B | -3.06420e+03 | |||
| Coefficient C | -5.55420e+01 | |||
| Temperature range, min. | 330.70 | |||
| Temperature range, max. | 556.85 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 500 | ||||
| Pvap | 1.33 | kPa | 330.70 | Calculated Property |
| Pvap | 3.39 | kPa | 355.83 | Calculated Property |
| Pvap | 7.45 | kPa | 380.96 | Calculated Property |
| Pvap | 14.62 | kPa | 406.08 | Calculated Property |
| Pvap | 26.24 | kPa | 431.21 | Calculated Property |
| Pvap | 43.76 | kPa | 456.34 | Calculated Property |
| Pvap | 68.69 | kPa | 481.47 | Calculated Property |
| Pvap | 102.56 | kPa | 506.59 | Calculated Property |
| Pvap | 146.78 | kPa | 531.72 | Calculated Property |
| Pvap | 202.65 | kPa | 556.85 | Calculated Property |
| Pvap | [3.79e-07; 3383.73] | kPa | [193.00; 633.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.62857e+01 | |||
| Coefficient B | -9.28830e+03 | |||
| Coefficient C | -1.00888e+01 | |||
| Coefficient D | 3.97323e-06 | |||
| Temperature range, min. | 193.00 | |||
| Temperature range, max. | 633.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 200 400 600 | ||||
| Pvap | 3.79e-07 | kPa | 193.00 | Calculated Property |
| Pvap | 7.08e-04 | kPa | 241.89 | Calculated Property |
| Pvap | 0.08 | kPa | 290.78 | Calculated Property |
| Pvap | 1.82 | kPa | 339.67 | Calculated Property |
| Pvap | 16.90 | kPa | 388.56 | Calculated Property |
| Pvap | 86.78 | kPa | 437.44 | Calculated Property |
| Pvap | 301.40 | kPa | 486.33 | Calculated Property |
| Pvap | 800.34 | kPa | 535.22 | Calculated Property |
| Pvap | 1760.07 | kPa | 584.11 | Calculated Property |
| Pvap | 3383.73 | kPa | 633.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, isocyanato-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.