- InChI
- InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
- InChI Key
- SXVPOSFURRDKBO-UHFFFAOYSA-N
- Formula
- C12H22O
- SMILES
- O=C1CCCCCCCCCCC1
- Molecular Weight1
- 182.30
- CAS
- 830-13-7
- ω : Acentric Factor.
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (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.
- I : 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 |
|---|---|---|---|
| ω | 0.3435 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-7436.10; -7435.10] | kJ/mol |
|
| ΔcH°solid | -7436.10 ± 2.60 | kJ/mol | NIST |
| ΔcH°solid | -7435.10 ± 2.10 | kJ/mol | NIST |
| ΔfG° | -112.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-359.30; -349.10] | kJ/mol |
|
| ΔfH°gas | -359.30 ± 3.10 | kJ/mol | NIST |
| ΔfH°gas | -349.10 ± 2.30 | kJ/mol | NIST |
| ΔfH°solid | [-442.50; -431.30] | kJ/mol |
|
| ΔfH°solid | -442.50 ± 3.10 | kJ/mol | NIST |
| ΔfH°solid | -431.30 ± 2.20 | kJ/mol | NIST |
| ΔfusH° | 4.51 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [83.20; 83.20] | kJ/mol |
|
| ΔsubH° | 83.20 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 83.20 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | [65.50; 65.50] | kJ/mol |
|
| ΔvapH° | 65.50 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 65.50 ± 0.60 | kJ/mol | NIST |
| IE | 8.96 ± 0.03 | eV | NIST |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.860 | Crippen Calculated Property | |
| McVol | 170.650 | ml/mol | McGowan Calculated Property |
| Pc | 2637.96 | kPa | Joback Calculated Property |
| Inp | [1492.80; 1574.10] |
|
|
| Inp | 1492.80 | NIST | |
| Inp | 1505.60 | NIST | |
| Inp | 1528.90 | NIST | |
| Inp | 1492.80 | NIST | |
| Inp | 1505.60 | NIST | |
| Inp | 1528.90 | NIST | |
| Inp | 1570.40 | NIST | |
| Inp | 1562.80 | NIST | |
| Inp | 1574.10 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1524.00 | NIST | |
| I | [1923.20; 1992.70] |
|
|
| I | 1923.20 | NIST | |
| I | 1956.40 | NIST | |
| I | 1992.70 | NIST | |
| I | 1923.20 | NIST | |
| I | 1956.40 | NIST | |
| I | 1992.70 | NIST | |
| Tboil | [538.30; 538.30] | K |
|
| Tboil | 538.30 ± 2.00 | K | NIST |
| Tboil | 538.30 ± 2.00 | K | NIST |
| Tc | 778.81 | K | Relay (1.0) Calculated Property |
| Tfus | [335.60; 335.60] | K |
|
| Tfus | 335.60 ± 0.10 | K | NIST |
| Tfus | 335.60 ± 0.10 | K | NIST |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.71; 580.55] | J/mol×K | [591.82; 847.39] |
|
| Cp,gas | 446.71 | J/mol×K | 591.82 | Joback Calculated Property |
| Cp,gas | 473.53 | J/mol×K | 634.42 | Joback Calculated Property |
| Cp,gas | 498.63 | J/mol×K | 677.01 | Joback Calculated Property |
| Cp,gas | 521.93 | J/mol×K | 719.61 | Joback Calculated Property |
| Cp,gas | 543.39 | J/mol×K | 762.20 | Joback Calculated Property |
| Cp,gas | 562.95 | J/mol×K | 804.80 | Joback Calculated Property |
| Cp,gas | 580.55 | J/mol×K | 847.39 | Joback Calculated Property |
| ΔfusH | 16.85 | kJ/mol | 335.60 | NIST |
| ΔvapH | [54.70; 61.00] | kJ/mol | [408.00; 507.00] |
|
| ΔvapH | 61.00 | kJ/mol | 408.00 | NIST |
| ΔvapH | 57.90 | kJ/mol | 429.00 | NIST |
| ΔvapH | 54.70 | kJ/mol | 507.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [358.00; 358.20] | K | [0.10; 0.10] |
|
| Tboilr | 358.20 | K | 0.10 | NIST |
| Tboilr | 358.00 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to Cyclododecanone.
Sources
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