- InChI
- InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2
- InChI Key
- VELDYOPRLMJFIK-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- O=CC1CCCC1
- Molecular Weight1
- 98.14
- CAS
- 872-53-7
- Other Names
-
- Cyclopentanealdehyde
- Cyclopentylformaldehyde
- Formylcyclopentane
- Cyclopentyl aldehyde
- Cyclopentane-1-carboxaldehyde
- cyclopentanecarbaldehyde
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 7.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.375 | Crippen Calculated Property | |
| McVol | 86.110 | ml/mol | McGowan Calculated Property |
| Inp | 857.00 | NIST | |
| Ip | [1170.00; 1171.00] |
|
|
| Ip | 1170.00 | NIST | |
| Ip | 1171.00 | NIST | |
| Tboil | 408.20 | K | Relay (1.0) Calculated Property |
| Tfus | 196.49 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.45; 302.95] | 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 | -5.16500e+01 | |||
| Coefficient B | 6.80000e-01 | |||
| Coefficient C | -4.23000e-04 | |||
| Coefficient D | 9.76000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 104.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 140.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 171.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 199.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 224.07 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 245.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 263.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 278.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 291.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 302.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036458; 0.0003502] | Pa×s | [210.28; 423.30] |
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 | -1.02696e+01 | |||
| Coefficient B | 9.78930e+02 | |||
| 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. | 210.28 | |||
| Temperature range, max. | 423.30 | |||
| η | 0.0036458 | Pa×s | 210.28 | Calculated Property |
| η | 0.0022764 | Pa×s | 233.95 | Calculated Property |
| η | 0.0015498 | Pa×s | 257.62 | Calculated Property |
| η | 0.0011257 | Pa×s | 281.29 | Calculated Property |
| η | 0.0008592 | Pa×s | 304.95 | Calculated Property |
| η | 0.0006819 | Pa×s | 328.62 | Calculated Property |
| η | 0.0005582 | Pa×s | 352.29 | Calculated Property |
| η | 0.0004686 | Pa×s | 375.96 | Calculated Property |
| η | 0.0004016 | Pa×s | 399.63 | Calculated Property |
| η | 0.0003502 | Pa×s | 423.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxaldehyde.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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