- InChI
- InChI=1S/C33H56O2/c1-22(10-13-28(34)35-8)23-14-19-30(4)24(23)15-20-32(6)26(30)11-12-27-31(5)18-9-17-29(2,3)25(31)16-21-33(27,32)7/h22-27H,9-21H2,1-8H3/t22?,23-,24-,25?,26?,27?,30+,31+,32-,33-/m0/s1
- InChI Key
- ORWUNXLWVUEFHW-VDXCZSIDSA-N
- Formula
- C33H56O2
- SMILES
-
COC(=O)CCC(C)C1CCC2(C)C1CCC1(C
)C2CCC2C3(C)CCCC(C)(C)C3CCC21C - Molecular Weight1
- 484.80
- 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° | 155.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -672.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.12 | kJ/mol | Joback Calculated Property |
| log10WS | -9.31 | Crippen Calculated Property | |
| logPoct/wat | 9.067 | Crippen Calculated Property | |
| McVol | 428.970 | ml/mol | McGowan Calculated Property |
| Pc | 829.55 | kPa | Joback Calculated Property |
| Inp | 3684.00 | NIST | |
| Tboil | 1067.46 | K | Joback Calculated Property |
| Tc | 1314.47 | K | Joback Calculated Property |
| Tfus | 685.71 | K | Joback Calculated Property |
| Vc | 1.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1803.86; 2294.48] | J/mol×K | [1067.46; 1314.47] | 
|
| Cp,gas | 1803.86 | J/mol×K | 1067.46 | Joback Calculated Property |
| Cp,gas | 1868.10 | J/mol×K | 1108.63 | Joback Calculated Property |
| Cp,gas | 1938.24 | J/mol×K | 1149.80 | Joback Calculated Property |
| Cp,gas | 2015.12 | J/mol×K | 1190.96 | Joback Calculated Property |
| Cp,gas | 2099.56 | J/mol×K | 1232.13 | Joback Calculated Property |
| Cp,gas | 2192.41 | J/mol×K | 1273.30 | Joback Calculated Property |
| Cp,gas | 2294.48 | J/mol×K | 1314.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17«alpha»(H),21«beta»(H)-Bishomohopanoic acid methyl ester.
Sources
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