- InChI
- InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+
- InChI Key
- NCYCYZXNIZJOKI-MKOSUFFBSA-N
- Formula
- C20H28O
- SMILES
-
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)
C)=CC=O - Molecular Weight1
- 284.44
- CAS
- 514-85-2
- Other Names
-
- Isoretinene a
- 9-cis-Retinal
- 9-cis-Retinaldehyde
- 9-cis-Vitamin A Aldehyde
- 9-cis-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenal
- 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° | 351.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 11.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.72 | kJ/mol | Joback Calculated Property |
| log10WS | -6.40 | Crippen Calculated Property | |
| logPoct/wat | 5.717 | Crippen Calculated Property | |
| McVol | 261.870 | ml/mol | McGowan Calculated Property |
| Pc | 1490.74 | kPa | Joback Calculated Property |
| Inp | [2198.00; 2198.00] |
|
|
| Inp | 2198.00 | NIST | |
| Inp | 2198.00 | NIST | |
| Inp | 2198.00 | NIST | |
| Tboil | 750.97 | K | Joback Calculated Property |
| Tc | 972.13 | K | Joback Calculated Property |
| Tfus | 366.00 | K | Joback Calculated Property |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [747.66; 860.01] | J/mol×K | [750.97; 972.13] |
|
| Cp,gas | 747.66 | J/mol×K | 750.97 | Joback Calculated Property |
| Cp,gas | 767.45 | J/mol×K | 787.83 | Joback Calculated Property |
| Cp,gas | 786.54 | J/mol×K | 824.69 | Joback Calculated Property |
| Cp,gas | 805.14 | J/mol×K | 861.55 | Joback Calculated Property |
| Cp,gas | 823.44 | J/mol×K | 898.41 | Joback Calculated Property |
| Cp,gas | 841.67 | J/mol×K | 935.27 | Joback Calculated Property |
| Cp,gas | 860.01 | J/mol×K | 972.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Retinal, 9-cis-.
Sources
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