- InChI
- InChI=1S/C22H42O3/c1-5-6-7-8-9-10-11-12-13-16-24-22(23)25-21-17-20(18(2)3)15-14-19(21)4/h18-21H,5-17H2,1-4H3
- InChI Key
- VCDCQWUJGITWQD-UHFFFAOYSA-N
- Formula
- C22H42O3
- SMILES
-
CCCCCCCCCCCOC(=O)OC1CC(C(C)C)C
CC1C - Molecular Weight1
- 354.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -197.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -866.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.56 | kJ/mol | Joback Calculated Property |
| log10WS | -7.24 | Crippen Calculated Property | |
| logPoct/wat | 7.131 | Crippen Calculated Property | |
| McVol | 323.290 | ml/mol | McGowan Calculated Property |
| Pc | 1005.26 | kPa | Joback Calculated Property |
| Inp | [2390.00; 2390.00] |
|
|
| Inp | 2390.00 | NIST | |
| Inp | 2390.00 | NIST | |
| Tboil | 811.24 | K | Joback Calculated Property |
| Tc | 1001.53 | K | Joback Calculated Property |
| Tfus | 415.99 | K | Joback Calculated Property |
| Vc | 1.234 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1069.21; 1179.98] | J/mol×K | [811.24; 1001.53] |
|
| Cp,gas | 1069.21 | J/mol×K | 811.24 | Joback Calculated Property |
| Cp,gas | 1091.10 | J/mol×K | 842.96 | Joback Calculated Property |
| Cp,gas | 1111.59 | J/mol×K | 874.67 | Joback Calculated Property |
| Cp,gas | 1130.71 | J/mol×K | 906.39 | Joback Calculated Property |
| Cp,gas | 1148.47 | J/mol×K | 938.10 | Joback Calculated Property |
| Cp,gas | 1164.89 | J/mol×K | 969.82 | Joback Calculated Property |
| Cp,gas | 1179.98 | J/mol×K | 1001.53 | Joback Calculated Property |
| η | [0.0000649; 0.0012691] | Pa×s | [415.99; 811.24] |
|
| η | 0.0012691 | Pa×s | 415.99 | Joback Calculated Property |
| η | 0.0005509 | Pa×s | 481.87 | Joback Calculated Property |
| η | 0.0002923 | Pa×s | 547.74 | Joback Calculated Property |
| η | 0.0001777 | Pa×s | 613.62 | Joback Calculated Property |
| η | 0.0001190 | Pa×s | 679.49 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 745.37 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 811.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, (1R)-(-)-menthyl undecyl ester.
Sources
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