- InChI
- InChI=1S/C13H24O/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-13/h1-12H2
- InChI Key
- VHUGWUBIUBBUAF-UHFFFAOYSA-N
- Formula
- C13H24O
- SMILES
- O=C1CCCCCCCCCCCC1
- Molecular Weight1
- 196.33
- CAS
- 832-10-0
- 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).
- Inp : Non-polar retention indices.
- 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° | -116.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 4.250 | Crippen Calculated Property | |
| McVol | 184.740 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Inp | [1647.60; 1677.80] |
|
|
| Inp | 1661.30 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1647.60 | NIST | |
| Inp | 1672.80 | NIST | |
| Inp | 1677.80 | NIST | |
| Tboil | 618.77 | K | Joback Calculated Property |
| Tc | 877.46 | K | Joback Calculated Property |
| Tfus | 291.47 | K | Joback Calculated Property |
| Vc | 0.648 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.36; 642.34] | J/mol×K | [618.77; 877.46] |
|
| Cp,gas | 503.36 | J/mol×K | 618.77 | Joback Calculated Property |
| Cp,gas | 531.69 | J/mol×K | 661.88 | Joback Calculated Property |
| Cp,gas | 558.04 | J/mol×K | 705.00 | Joback Calculated Property |
| Cp,gas | 582.35 | J/mol×K | 748.11 | Joback Calculated Property |
| Cp,gas | 604.55 | J/mol×K | 791.23 | Joback Calculated Property |
| Cp,gas | 624.57 | J/mol×K | 834.34 | Joback Calculated Property |
| Cp,gas | 642.34 | J/mol×K | 877.46 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 419.20 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to Cyclotridecanone.
Sources
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