- InChI
- InChI=1S/C9H16O/c10-9-7-5-3-1-2-4-6-8-9/h1-8H2
- InChI Key
- BAUZLFKYYIVGPM-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- O=C1CCCCCCCC1
- Molecular Weight1
- 140.23
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 0.3386 | Relay (1.0) Calculated Property | |
| PAff | 852.60 | kJ/mol | NIST |
| BasG | 822.80 | kJ/mol | NIST |
| ΔcH°solid | -5493.40 ± 1.50 | kJ/mol | NIST |
| ΔfG° | -101.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.70 ± 1.70 | kJ/mol | NIST |
| ΔfH°solid | -334.90 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 1.60 | kJ/mol | NIST |
| ΔvapH° | [53.10; 53.10] | kJ/mol |
|
| ΔvapH° | 53.10 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 53.10 ± 0.60 | kJ/mol | NIST |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.690 | Crippen Calculated Property | |
| McVol | 128.380 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Inp | [1239.00; 1256.00] |
|
|
| Inp | 1239.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Tboil | [493.60; 493.60] | K |
|
| Tboil | 493.60 ± 1.50 | K | NIST |
| Tboil | 493.60 ± 1.50 | K | NIST |
| Tc | 725.75 | K | Relay (1.0) Calculated Property |
| Tfus | [305.10; 307.15] | K |
|
| Tfus | 307.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 305.10 ± 2.00 | K | NIST |
| Tfus | 305.10 ± 2.00 | K | NIST |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [1.60; 14.70] | kJ/mol | [247.00; 298.00] |
|
| ΔfusH | 14.70 | kJ/mol | 247.00 | NIST |
| ΔfusH | 1.60 | kJ/mol | 298.00 | NIST |
| ΔvapH | 51.40 | kJ/mol | 373.00 | NIST |
| ΔfusS | [5.40; 59.50] | J/mol×K | [247.00; 298.00] |
|
| ΔfusS | 59.50 | J/mol×K | 247.00 | NIST |
| ΔfusS | 5.40 | J/mol×K | 298.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [367.20; 369.20] | K | [1.60; 2.40] |
|
| Tboilr | 367.20 | K | 1.60 | NIST |
| Tboilr | 369.20 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.72; 466.53] | 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 | -5.57700e+01 | |||
| Coefficient B | 8.10300e-01 | |||
| Coefficient C | -2.19000e-04 | |||
| Coefficient D | -6.90000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 147.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 200.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 249.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 294.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 334.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 370.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 402.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 429.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 450.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 466.53 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclononanone.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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