- InChI
- InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m1/s1
- InChI Key
- QZLYKIGBANMMBK-FSQANUGRSA-N
- Formula
- C19H32
- SMILES
- CC12CCCC1C1CCC3CCCCC3(C)C1CC2
- Molecular Weight1
- 260.46
- CAS
- 24887-75-0
- Other Names
-
- 1H-Cyclopenta[a]phenanthrene, hexadecahydro-10,13-dimethyl-, [8S-(8«alpha»,9«beta»,10«alpha»,13«alpha»,14«beta»)]-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°solid | -11740.00 ± 40.00 | kJ/mol | NIST |
| ΔfG° | 265.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.48 | kJ/mol | Joback Calculated Property |
| log10WS | -5.90 | Crippen Calculated Property | |
| logPoct/wat | 5.809 | Crippen Calculated Property | |
| McVol | 235.130 | ml/mol | McGowan Calculated Property |
| Pc | 1775.84 | kPa | Joback Calculated Property |
| Inp | [1995.00; 1995.00] |
|
|
| Inp | 1995.00 | NIST | |
| Inp | 1995.00 | NIST | |
| Tboil | 673.57 | K | Joback Calculated Property |
| Tc | 917.20 | K | Joback Calculated Property |
| Tfus | 397.37 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [741.85; 901.55] | J/mol×K | [673.57; 917.20] |
|
| Cp,gas | 741.85 | J/mol×K | 673.57 | Joback Calculated Property |
| Cp,gas | 770.96 | J/mol×K | 714.17 | Joback Calculated Property |
| Cp,gas | 798.54 | J/mol×K | 754.78 | Joback Calculated Property |
| Cp,gas | 824.99 | J/mol×K | 795.38 | Joback Calculated Property |
| Cp,gas | 850.70 | J/mol×K | 835.99 | Joback Calculated Property |
| Cp,gas | 876.09 | J/mol×K | 876.59 | Joback Calculated Property |
| Cp,gas | 901.55 | J/mol×K | 917.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androstane.
Sources
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