- InChI
- InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
- InChI Key
- QGNJRVVDBSJHIZ-QHLGVNSISA-N
- Formula
- C22H32O2
- SMILES
-
CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C
(C)CCCC1(C)C - Molecular Weight1
- 328.49
- CAS
- 127-47-9
- Other Names
-
- Retinol, acetate, all-trans-
- all-trans-Retinol acetate
- all-trans-Retinyl acetate
- all-trans-Vitamin A acetate
- trans-Retinyl acetate
- Myvak
- Myvax
- Retinyl acetate
- Vitamin A acetate
- Vitamin A1 acetate
- trans-Vitamin A acetate
- Crystalets
- Davitan A 650
- Vitamin A alcohol acetate
- 3,7-Dimethyl-9-(2,6,6,-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol acetate, (all trans)-
- NSC 122045
- Ro 1-5275
- trans-Retinol acetate
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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.
- 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 |
|---|---|---|---|
| ω | 0.5233 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -11517.70 ± 6.00 | kJ/mol | NIST |
| ΔfG° | 233.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -1713.00 ± 6.00 | kJ/mol | NIST |
| ΔfusH° | 39.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.081 | Crippen Calculated Property | |
| McVol | 295.920 | ml/mol | McGowan Calculated Property |
| Pc | 1266.45 | kPa | Joback Calculated Property |
| Inp | [2531.00; 2578.00] |
|
|
| Inp | 2578.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Inp | 2578.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Tboil | 607.51 | K | Relay (1.0) Calculated Property |
| Tc | 813.88 | K | Relay (1.0) Calculated Property |
| Tfus | 363.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.984 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [896.69; 1017.27] | J/mol×K | [824.36; 1042.16] |
|
| Cp,gas | 896.69 | J/mol×K | 824.36 | Joback Calculated Property |
| Cp,gas | 917.44 | J/mol×K | 860.66 | Joback Calculated Property |
| Cp,gas | 937.68 | J/mol×K | 896.96 | Joback Calculated Property |
| Cp,gas | 957.60 | J/mol×K | 933.26 | Joback Calculated Property |
| Cp,gas | 977.38 | J/mol×K | 969.56 | Joback Calculated Property |
| Cp,gas | 997.21 | J/mol×K | 1005.86 | Joback Calculated Property |
| Cp,gas | 1017.27 | J/mol×K | 1042.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Retinol, acetate.
Sources
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