- InChI
- InChI=1S/C33H58/c1-9-10-12-23(2)24-15-20-30(5)25(24)16-21-32(7)27(30)13-14-28-31(6)19-11-18-29(3,4)26(31)17-22-33(28,32)8/h23-28H,9-22H2,1-8H3/t23-,24+,25?,26?,27?,28?,30+,31?,32?,33?/m0/s1
- InChI Key
- KTWXNNDHFXEEFL-FDFZSRTESA-N
- Formula
- C33H58
- SMILES
-
CCCCC(C)C1CCC2(C)C1CCC1(C)C2CC
C2C3(C)CCCC(C)(C)C3CCC21C - Molecular Weight1
- 454.81
- 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° | 389.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.96 | kJ/mol | Joback Calculated Property |
| log10WS | -10.45 | Crippen Calculated Property | |
| logPoct/wat | 10.304 | Crippen Calculated Property | |
| McVol | 421.530 | ml/mol | McGowan Calculated Property |
| Pc | 807.99 | kPa | Joback Calculated Property |
| Inp | 3429.00 | NIST | |
| Tboil | 991.17 | K | Joback Calculated Property |
| Tc | 1229.95 | K | Joback Calculated Property |
| Tfus | 613.55 | K | Joback Calculated Property |
| Vc | 1.599 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1689.90; 2096.77] | J/mol×K | [991.17; 1229.95] | 
|
| Cp,gas | 1689.90 | J/mol×K | 991.17 | Joback Calculated Property |
| Cp,gas | 1744.45 | J/mol×K | 1030.97 | Joback Calculated Property |
| Cp,gas | 1803.28 | J/mol×K | 1070.76 | Joback Calculated Property |
| Cp,gas | 1867.15 | J/mol×K | 1110.56 | Joback Calculated Property |
| Cp,gas | 1936.84 | J/mol×K | 1150.35 | Joback Calculated Property |
| Cp,gas | 2013.12 | J/mol×K | 1190.15 | Joback Calculated Property |
| Cp,gas | 2096.77 | J/mol×K | 1229.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C33 17A,21B,22R-Hopane.
Sources
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