- InChI
- InChI=1S/C29H50/c1-8-20-12-17-26(4)21(20)13-18-28(6)23(26)10-11-24-27(5)16-9-15-25(2,3)22(27)14-19-29(24,28)7/h20-24H,8-19H2,1-7H3/t20-,21-,22?,23?,24?,26+,27+,28-,29-/m0/s1
- InChI Key
- XKJROQIFLGXWEY-KQRVYMCPSA-N
- Formula
- C29H50
- SMILES
-
CCC1CCC2(C)C1CCC1(C)C2CCC2C3(C
)CCCC(C)(C)C3CCC21C - Molecular Weight1
- 398.71
- 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° | 358.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.44 | kJ/mol | Joback Calculated Property |
| log10WS | -9.02 | Crippen Calculated Property | |
| logPoct/wat | 8.888 | Crippen Calculated Property | |
| McVol | 365.170 | ml/mol | McGowan Calculated Property |
| Pc | 1012.95 | kPa | Joback Calculated Property |
| Inp | [2983.00; 2983.00] |
|
|
| Inp | 2983.00 | NIST | |
| Inp | 2983.00 | NIST | |
| Tboil | 900.09 | K | Joback Calculated Property |
| Tc | 1143.83 | K | Joback Calculated Property |
| Tfus | 583.47 | K | Joback Calculated Property |
| Vc | 1.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1379.44; 1707.26] | J/mol×K | [900.09; 1143.83] |
|
| Cp,gas | 1379.44 | J/mol×K | 900.09 | Joback Calculated Property |
| Cp,gas | 1424.12 | J/mol×K | 940.71 | Joback Calculated Property |
| Cp,gas | 1471.71 | J/mol×K | 981.34 | Joback Calculated Property |
| Cp,gas | 1523.01 | J/mol×K | 1021.96 | Joback Calculated Property |
| Cp,gas | 1578.84 | J/mol×K | 1062.58 | Joback Calculated Property |
| Cp,gas | 1639.98 | J/mol×K | 1103.20 | Joback Calculated Property |
| Cp,gas | 1707.26 | J/mol×K | 1143.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17«beta»,21«alpha»(H)-norhopane.
Sources
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