- InChI
- InChI=1S/C9H19NO/c1-8(11)7-10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3
- InChI Key
- HFHPBMVMXFZJNO-UHFFFAOYSA-N
- Formula
- C9H19NO
- SMILES
- CC(O)CNC1CCCCC1
- Molecular Weight1
- 157.26
- Other Names
-
- Cyclohexylamine, N-propoxylated
- USAF DO-19
- 1-Cyclohexylaminopropan-2-ol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5859 | Relay (1.0) Calculated Property | |
| ΔfusH° | 16.57 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 1.290 | Crippen Calculated Property | |
| McVol | 142.660 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Tboil | 505.17 | K | Relay (1.0) Calculated Property |
| Tc | 686.50 | K | Relay (1.0) Calculated Property |
| Tfus | 318.75 ± 0.10 | K | NIST |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 56.60 | kJ/mol | 467.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.66; 524.82] | 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 | -6.84990e+01 | |||
| Coefficient B | 1.09702e+00 | |||
| Coefficient C | -6.29000e-04 | |||
| Coefficient D | 1.25300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 186.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 246.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 299.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 346.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 388.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 424.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 456.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 482.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 505.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 524.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [7.08; 101.35] | kPa | [423.60; 511.22] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42726e+01 | |||
| Coefficient B | -3.91469e+03 | |||
| Coefficient C | -1.05721e+02 | |||
| Reference | McDonald, Shrader, et al., 1959, 2 | |||
| Temperature range, min. | 423.60 | |||
| Temperature range, max. | 511.22 | |||
| Pvap | 7.08 | kPa | 423.60 | Calculated Property |
| Pvap | 10.21 | kPa | 433.34 | Calculated Property |
| Pvap | 14.42 | kPa | 443.07 | Calculated Property |
| Pvap | 19.96 | kPa | 452.81 | Calculated Property |
| Pvap | 27.16 | kPa | 462.54 | Calculated Property |
| Pvap | 36.34 | kPa | 472.28 | Calculated Property |
| Pvap | 47.91 | kPa | 482.01 | Calculated Property |
| Pvap | 62.28 | kPa | 491.75 | Calculated Property |
| Pvap | 79.93 | kPa | 501.48 | Calculated Property |
| Pvap | 101.35 | kPa | 511.22 | Calculated Property |
| Pvap | [7.08; 101.35] | kPa | [423.60; 511.22] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42726e+01 | |||
| Coefficient B | -3.91469e+03 | |||
| Coefficient C | -1.05721e+02 | |||
| Reference | McDonald, Shrader, et al., 1959 | |||
| Temperature range, min. | 423.60 | |||
| Temperature range, max. | 511.22 | |||
| Pvap | 7.08 | kPa | 423.60 | Calculated Property |
| Pvap | 10.21 | kPa | 433.34 | Calculated Property |
| Pvap | 14.42 | kPa | 443.07 | Calculated Property |
| Pvap | 19.96 | kPa | 452.81 | Calculated Property |
| Pvap | 27.16 | kPa | 462.54 | Calculated Property |
| Pvap | 36.34 | kPa | 472.28 | Calculated Property |
| Pvap | 47.91 | kPa | 482.01 | Calculated Property |
| Pvap | 62.28 | kPa | 491.75 | Calculated Property |
| Pvap | 79.93 | kPa | 501.48 | Calculated Property |
| Pvap | 101.35 | kPa | 511.22 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Cyclohexylamino-2-propanol.
Sources
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