- InChI
- InChI=1S/C31H54/c1-8-10-21(2)22-14-18-29(5)25(22)16-20-31(7)27(29)13-12-26-23-11-9-17-28(3,4)24(23)15-19-30(26,31)6/h21-27H,8-20H2,1-7H3/t21-,22-,23?,24?,25-,26?,27?,29+,30-,31-/m0/s1
- InChI Key
- GYGSPXRBNGXRQD-MVUXDMHWSA-N
- Formula
- C31H54
- SMILES
-
CCCC(C)C1CCC2(C)C1CCC1(C)C2CCC
2C3CCCC(C)(C)C3CCC21C - Molecular Weight1
- 426.76
- 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° | 378.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.66 | kJ/mol | Joback Calculated Property |
| log10WS | -9.61 | Crippen Calculated Property | |
| logPoct/wat | 9.524 | Crippen Calculated Property | |
| McVol | 393.350 | ml/mol | McGowan Calculated Property |
| Pc | 880.00 | kPa | Joback Calculated Property |
| Inp | [3231.00; 3231.00] |
|
|
| Inp | 3231.00 | NIST | |
| Inp | 3231.00 | NIST | |
| Tboil | 945.17 | K | Joback Calculated Property |
| Tc | 1181.45 | K | Joback Calculated Property |
| Tfus | 567.11 | K | Joback Calculated Property |
| Vc | 1.490 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1528.73; 1842.88] | J/mol×K | [945.17; 1181.45] |
|
| Cp,gas | 1528.73 | J/mol×K | 945.17 | Joback Calculated Property |
| Cp,gas | 1573.14 | J/mol×K | 984.55 | Joback Calculated Property |
| Cp,gas | 1619.88 | J/mol×K | 1023.93 | Joback Calculated Property |
| Cp,gas | 1669.59 | J/mol×K | 1063.31 | Joback Calculated Property |
| Cp,gas | 1722.91 | J/mol×K | 1102.69 | Joback Calculated Property |
| Cp,gas | 1780.46 | J/mol×K | 1142.07 | Joback Calculated Property |
| Cp,gas | 1842.88 | J/mol×K | 1181.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C32-25-Norhopane, 17aH, 21bH, 22R.
Sources
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