- InChI
- InChI=1S/C9H16O/c10-8-4-7-9-5-2-1-3-6-9/h8-9H,1-7H2
- InChI Key
- RKFNAZGRJVNWEW-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- O=CCCC1CCCCC1
- Molecular Weight1
- 140.22
- CAS
- 4361-28-8
- Other Names
-
- Cyclohexanepropionaldehyde
- 3-Cyclohexylpropionaldehyde
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.3809 | Relay (1.0) Calculated Property | |
| ΔfG° | -50.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.546 | Crippen Calculated Property | |
| McVol | 128.380 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Tboil | 482.04 | K | Relay (1.0) Calculated Property |
| Tc | 703.33 | K | Relay (1.0) Calculated Property |
| Tfus | 241.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 361.20 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.20; 459.50] | 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 | -5.94980e+01 | |||
| Coefficient B | 9.55400e-01 | |||
| Coefficient C | -5.39800e-04 | |||
| Coefficient D | 1.03400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 215.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 262.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 303.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 340.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 371.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 399.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 423.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 442.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 459.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0068852; 0.0003340] | Pa×s | [240.57; 475.05] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.11087e+01 | |||
| Coefficient B | 1.47478e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 240.57 | |||
| Temperature range, max. | 475.05 | |||
| η | 0.0068852 | Pa×s | 240.57 | Calculated Property |
| η | 0.0037823 | Pa×s | 266.62 | Calculated Property |
| η | 0.0023116 | Pa×s | 292.68 | Calculated Property |
| η | 0.0015312 | Pa×s | 318.73 | Calculated Property |
| η | 0.0010794 | Pa×s | 344.78 | Calculated Property |
| η | 0.0007992 | Pa×s | 370.84 | Calculated Property |
| η | 0.0006156 | Pa×s | 396.89 | Calculated Property |
| η | 0.0004897 | Pa×s | 422.94 | Calculated Property |
| η | 0.0004000 | Pa×s | 449.00 | Calculated Property |
| η | 0.0003340 | Pa×s | 475.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanepropanal.
Sources
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