- InChI
- InChI=1S/C21H34O4/c1-14(8-12-22)16-13-18-19(3)9-6-10-20(4,24-15(2)23)17(19)7-11-21(18,5)25-16/h8,16-18,22H,6-7,9-13H2,1-5H3/b14-8-/t16-,17-,18?,19+,20?,21-/m0/s1
- InChI Key
- KIXPERSNBXFRMS-DEWOUJRRSA-N
- Formula
- C21H34O4
- SMILES
-
CC(=O)OC1(C)CCCC2(C)C1CCC1(C)O
C(C(C)=CCO)CC12 - Molecular Weight1
- 350.49
- 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° | -165.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.77 | kJ/mol | Joback Calculated Property |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 4.011 | Crippen Calculated Property | |
| McVol | 289.050 | ml/mol | McGowan Calculated Property |
| Pc | 1572.21 | kPa | Joback Calculated Property |
| Inp | [2787.00; 2787.00] |
|
|
| Inp | 2787.00 | NIST | |
| Inp | 2787.00 | NIST | |
| Tboil | 903.35 | K | Joback Calculated Property |
| Tc | 1126.00 | K | Joback Calculated Property |
| Tfus | 565.66 | K | Joback Calculated Property |
| Vc | 1.087 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.35; 1220.74] | J/mol×K | [903.35; 1126.00] |
|
| Cp,gas | 1032.35 | J/mol×K | 903.35 | Joback Calculated Property |
| Cp,gas | 1059.59 | J/mol×K | 940.46 | Joback Calculated Property |
| Cp,gas | 1088.00 | J/mol×K | 977.57 | Joback Calculated Property |
| Cp,gas | 1117.94 | J/mol×K | 1014.68 | Joback Calculated Property |
| Cp,gas | 1149.80 | J/mol×K | 1051.79 | Joback Calculated Property |
| Cp,gas | 1183.94 | J/mol×K | 1088.89 | Joback Calculated Property |
| Cp,gas | 1220.74 | J/mol×K | 1126.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 16-Acetoxycarterochaetol.
Sources
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