- InChI
- InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(9)6-11/h6,8-10H,1,4-5H2,2-3H3/t8-,9+,10-/m1/s1
- InChI Key
- JCDLXWAYWSJVTP-KXUCPTDWSA-N
- Formula
- C10H16O
- SMILES
- C=C(C)C1CCC(C)C1C=O
- Molecular Weight1
- 152.23
- 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).
- 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° | 34.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -199.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.62 | kJ/mol | Joback Calculated Property |
| log10WS | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 2.424 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Pc | 2648.83 | kPa | Joback Calculated Property |
| Inp | [1118.00; 1118.00] |
|
|
| Inp | 1118.00 | NIST | |
| Inp | 1118.00 | NIST | |
| Tboil | 479.36 | K | Joback Calculated Property |
| Tc | 681.52 | K | Joback Calculated Property |
| Tfus | 231.16 | K | Joback Calculated Property |
| Vc | 0.533 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.37; 402.93] | J/mol×K | [479.36; 681.52] |
|
| Cp,gas | 311.37 | J/mol×K | 479.36 | Joback Calculated Property |
| Cp,gas | 328.76 | J/mol×K | 513.05 | Joback Calculated Property |
| Cp,gas | 345.26 | J/mol×K | 546.75 | Joback Calculated Property |
| Cp,gas | 360.90 | J/mol×K | 580.44 | Joback Calculated Property |
| Cp,gas | 375.71 | J/mol×K | 614.13 | Joback Calculated Property |
| Cp,gas | 389.72 | J/mol×K | 647.82 | Joback Calculated Property |
| Cp,gas | 402.93 | J/mol×K | 681.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Photocytral A.
Sources
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