- InChI
- InChI=1S/C30H54/c1-20(2)23-16-19-29(7)24(21(3)10-12-26(23)29)13-14-25-22(4)11-15-27-28(5,6)17-9-18-30(25,27)8/h20-27H,9-19H2,1-8H3/t21-,22-,23+,24?,25?,26+,27?,29+,30+/m1/s1
- InChI Key
- CJRBLAYOLJYSSI-VFVOVWNMSA-N
- Formula
- C30H54
- SMILES
-
CC(C)C1CCC2(C)C(CCC3C(C)CCC4C(
C)(C)CCCC34C)C(C)CCC12 - Molecular Weight1
- 414.75
- 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° | 294.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.54 | kJ/mol | Joback Calculated Property |
| log10WS | -9.30 | Crippen Calculated Property | |
| logPoct/wat | 9.380 | Crippen Calculated Property | |
| McVol | 390.120 | ml/mol | McGowan Calculated Property |
| Pc | 836.28 | kPa | Joback Calculated Property |
| Inp | [3028.00; 3028.00] |
|
|
| Inp | 3028.00 | NIST | |
| Inp | 3028.00 | NIST | |
| Tboil | 914.91 | K | Joback Calculated Property |
| Tc | 1142.85 | K | Joback Calculated Property |
| Tfus | 506.24 | K | Joback Calculated Property |
| Vc | 1.470 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1475.73; 1717.48] | J/mol×K | [914.91; 1142.85] |
|
| Cp,gas | 1475.73 | J/mol×K | 914.91 | Joback Calculated Property |
| Cp,gas | 1513.46 | J/mol×K | 952.90 | Joback Calculated Property |
| Cp,gas | 1551.67 | J/mol×K | 990.89 | Joback Calculated Property |
| Cp,gas | 1590.75 | J/mol×K | 1028.88 | Joback Calculated Property |
| Cp,gas | 1631.14 | J/mol×K | 1066.87 | Joback Calculated Property |
| Cp,gas | 1673.25 | J/mol×K | 1104.86 | Joback Calculated Property |
| Cp,gas | 1717.48 | J/mol×K | 1142.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C30 8,14-Secohopane, # 2.
Sources
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