- InChI
- InChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3
- InChI Key
- RFXBSYPBSRSQDU-UHFFFAOYSA-N
- Formula
- C8H15NO
- SMILES
- CCCCCCCN=C=O
- Molecular Weight1
- 141.21
- CAS
- 4747-81-3
- Other Names
-
- Heptyl isocyanate
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | -213.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.93 | kJ/mol | Joback Calculated Property |
| log10WS | -6.67 | Crippen Calculated Property | |
| logPoct/wat | 2.293 | Crippen Calculated Property | |
| McVol | 130.830 | ml/mol | McGowan Calculated Property |
| Pc | 2735.42 | kPa | Joback Calculated Property |
| Tboil | 449.11 | K | Joback Calculated Property |
| Tc | 624.56 | K | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 47.50 | kJ/mol | 393.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [358.48; 498.31] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56173e+01 | |||
| Coefficient B | -4.39733e+03 | |||
| Coefficient C | -7.16290e+01 | |||
| Temperature range, min. | 358.48 | |||
| Temperature range, max. | 498.31 | |||
| Pvap | 1.33 | kPa | 358.48 | Calculated Property |
| Pvap | 2.93 | kPa | 374.02 | Calculated Property |
| Pvap | 5.96 | kPa | 389.55 | Calculated Property |
| Pvap | 11.36 | kPa | 405.09 | Calculated Property |
| Pvap | 20.44 | kPa | 420.63 | Calculated Property |
| Pvap | 34.97 | kPa | 436.16 | Calculated Property |
| Pvap | 57.26 | kPa | 451.70 | Calculated Property |
| Pvap | 90.19 | kPa | 467.24 | Calculated Property |
| Pvap | 137.27 | kPa | 482.77 | Calculated Property |
| Pvap | 202.63 | kPa | 498.31 | Calculated Property |
Similar Compounds
Find more compounds similar to n-Heptyl isocyanate.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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