- InChI
- InChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3
- InChI Key
- NQEDLIZOPMNZMC-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- CCCC1CCC(=O)CC1
- Molecular Weight1
- 140.22
- CAS
- 40649-36-3
- Other Names
-
- Cyclohexanone, 4-propyl-
- 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° | -73.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.30 | kJ/mol | Joback Calculated Property |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 2.546 | Crippen Calculated Property | |
| McVol | 128.380 | ml/mol | McGowan Calculated Property |
| Pc | 2947.28 | kPa | Joback Calculated Property |
| Tboil | 492.69 | K | Joback Calculated Property |
| Tc | 709.61 | K | Joback Calculated Property |
| Tfus | 266.79 | K | Joback Calculated Property |
| Vc | 0.479 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.50; 387.02] | J/mol×K | [492.69; 709.61] | 
|
| Cp,gas | 291.50 | J/mol×K | 492.69 | Joback Calculated Property |
| Cp,gas | 309.49 | J/mol×K | 528.84 | Joback Calculated Property |
| Cp,gas | 326.65 | J/mol×K | 565.00 | Joback Calculated Property |
| Cp,gas | 342.98 | J/mol×K | 601.15 | Joback Calculated Property |
| Cp,gas | 358.49 | J/mol×K | 637.31 | Joback Calculated Property |
| Cp,gas | 373.17 | J/mol×K | 673.46 | Joback Calculated Property |
| Cp,gas | 387.02 | J/mol×K | 709.61 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 370.70 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [361.52; 495.40] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.60147e+01 | |||
| Coefficient B | -4.48569e+03 | |||
| Coefficient C | -7.63000e+01 | |||
| Temperature range, min. | 361.52 | |||
| Temperature range, max. | 495.40 | |||
| Pvap | 1.33 | kPa | 361.52 | Calculated Property |
| Pvap | 2.91 | kPa | 376.40 | Calculated Property |
| Pvap | 5.89 | kPa | 391.27 | Calculated Property |
| Pvap | 11.19 | kPa | 406.15 | Calculated Property |
| Pvap | 20.13 | kPa | 421.02 | Calculated Property |
| Pvap | 34.48 | kPa | 435.90 | Calculated Property |
| Pvap | 56.60 | kPa | 450.77 | Calculated Property |
| Pvap | 89.45 | kPa | 465.65 | Calculated Property |
| Pvap | 136.68 | kPa | 480.52 | Calculated Property |
| Pvap | 202.66 | kPa | 495.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Propylcyclohexanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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