- InChI
- InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m1/s1
- InChI Key
- XBWOPGDJMAJJDG-SSDOTTSWSA-N
- Formula
- C8H17N
- SMILES
- CC(N)C1CCCCC1
- Molecular Weight1
- 127.23
- CAS
- 17430-98-7
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 104.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -125.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.08 | kJ/mol | Joback Calculated Property |
| log10WS | -2.37 | Crippen Calculated Property | |
| logPoct/wat | 1.914 | Crippen Calculated Property | |
| McVol | 122.700 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Tboil | 474.08 | K | Joback Calculated Property |
| Tc | 693.89 | K | Joback Calculated Property |
| Tfus | 255.56 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.91; 371.86] | J/mol×K | [474.08; 693.89] | 
|
| Cp,gas | 276.91 | J/mol×K | 474.08 | Joback Calculated Property |
| Cp,gas | 295.18 | J/mol×K | 510.72 | Joback Calculated Property |
| Cp,gas | 312.43 | J/mol×K | 547.35 | Joback Calculated Property |
| Cp,gas | 328.69 | J/mol×K | 583.99 | Joback Calculated Property |
| Cp,gas | 344.00 | J/mol×K | 620.62 | Joback Calculated Property |
| Cp,gas | 358.38 | J/mol×K | 657.26 | Joback Calculated Property |
| Cp,gas | 371.86 | J/mol×K | 693.89 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 333.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [325.65; 467.20] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46083e+01 | |||
| Coefficient B | -3.75135e+03 | |||
| Coefficient C | -6.36950e+01 | |||
| Temperature range, min. | 325.65 | |||
| Temperature range, max. | 467.20 | |||
| Pvap | 1.33 | kPa | 325.65 | Calculated Property |
| Pvap | 3.00 | kPa | 341.38 | Calculated Property |
| Pvap | 6.19 | kPa | 357.11 | Calculated Property |
| Pvap | 11.86 | kPa | 372.83 | Calculated Property |
| Pvap | 21.35 | kPa | 388.56 | Calculated Property |
| Pvap | 36.39 | kPa | 404.29 | Calculated Property |
| Pvap | 59.16 | kPa | 420.02 | Calculated Property |
| Pvap | 92.33 | kPa | 435.74 | Calculated Property |
| Pvap | 138.98 | kPa | 451.47 | Calculated Property |
| Pvap | 202.63 | kPa | 467.20 | Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(+)-1-Cyclohexylethylamine.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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