- InChI
- InChI=1S/C21H28O4/c1-11(2)12-9-13-14-10-15-20(3,4)7-6-8-21(15,19(23)25-14)16(13)17(22)18(12)24-5/h9,11,14-15,22H,6-8,10H2,1-5H3
- InChI Key
- SLKLTLJLWMEJLZ-UHFFFAOYSA-N
- Formula
- C21H28O4
- SMILES
-
COc1c(C(C)C)cc2c(c1O)C13CCCC(C
)(C)C1CC2OC3=O - Molecular Weight1
- 344.44
- CAS
- 85514-27-8
- ω : Acentric Factor.
- 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).
- 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 | 0.7557 | Relay (1.0) Calculated Property | |
| ΔfG° | -109.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.590 | Crippen Calculated Property | |
| McVol | 269.590 | ml/mol | McGowan Calculated Property |
| Pc | 1874.03 | kPa | Joback Calculated Property |
| Inp | [2831.20; 2831.20] |
|
|
| Inp | 2831.20 | NIST | |
| Inp | 2831.20 | NIST | |
| Tboil | 654.48 | K | Relay (1.0) Calculated Property |
| Tc | 982.17 | K | Relay (1.0) Calculated Property |
| Tfus | 447.58 | 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 | [957.37; 1150.86] | J/mol×K | [939.17; 1189.01] |
|
| Cp,gas | 957.37 | J/mol×K | 939.17 | Joback Calculated Property |
| Cp,gas | 984.53 | J/mol×K | 980.81 | Joback Calculated Property |
| Cp,gas | 1013.15 | J/mol×K | 1022.45 | Joback Calculated Property |
| Cp,gas | 1043.67 | J/mol×K | 1064.09 | Joback Calculated Property |
| Cp,gas | 1076.51 | J/mol×K | 1105.73 | Joback Calculated Property |
| Cp,gas | 1112.10 | J/mol×K | 1147.37 | Joback Calculated Property |
| Cp,gas | 1150.86 | J/mol×K | 1189.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 12-O-Methylcarnosol.
Sources
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