- 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
- 140.22
- CAS
- 3350-30-9
- 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).
- 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 |
|---|---|---|---|
| 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 ± 0.60 | kJ/mol | NIST |
| log10WS | -2.76 | Crippen 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 ± 1.50 | K | NIST |
| Tc | 753.74 | K | Joback Calculated Property |
| Tfus | 305.10 ± 2.00 | K | NIST |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.46; 401.02] | J/mol×K | [510.17; 753.74] |
|
| Cp,gas | 291.46 | J/mol×K | 510.17 | Joback Calculated Property |
| Cp,gas | 312.55 | J/mol×K | 550.76 | Joback Calculated Property |
| Cp,gas | 332.55 | J/mol×K | 591.36 | Joback Calculated Property |
| Cp,gas | 351.43 | J/mol×K | 631.95 | Joback Calculated Property |
| Cp,gas | 369.15 | J/mol×K | 672.55 | Joback Calculated Property |
| Cp,gas | 385.69 | J/mol×K | 713.14 | Joback Calculated Property |
| Cp,gas | 401.02 | J/mol×K | 753.74 | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to Cyclononanone.
Sources
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