- InChI
- InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3/t21-,22-,24+,25-,26+,27+,28+,29-/m0/s1
- InChI Key
- ICCTZARHLGPHMT-DIWHCLEHSA-N
- Formula
- C29H48
- SMILES
-
CCC(CCC(C)C1CCC2C3CC=C4C=CCCC4
(C)C3CCC12C)C(C)C - Molecular Weight1
- 396.69
- CAS
- 79897-80-6
- 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° | 392.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.82 | kJ/mol | Joback Calculated Property |
| log10WS | -9.07 | Crippen Calculated Property | |
| logPoct/wat | 8.830 | Crippen Calculated Property | |
| McVol | 367.430 | ml/mol | McGowan Calculated Property |
| Pc | 945.58 | kPa | Joback Calculated Property |
| Inp | 2718.60 | NIST | |
| Tboil | 904.35 | K | Joback Calculated Property |
| Tc | 1129.09 | K | Joback Calculated Property |
| Tfus | 479.11 | K | Joback Calculated Property |
| Vc | 1.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1326.87; 1523.66] | J/mol×K | [904.35; 1129.09] | 
|
| Cp,gas | 1326.87 | J/mol×K | 904.35 | Joback Calculated Property |
| Cp,gas | 1358.21 | J/mol×K | 941.81 | Joback Calculated Property |
| Cp,gas | 1389.67 | J/mol×K | 979.26 | Joback Calculated Property |
| Cp,gas | 1421.59 | J/mol×K | 1016.72 | Joback Calculated Property |
| Cp,gas | 1454.34 | J/mol×K | 1054.18 | Joback Calculated Property |
| Cp,gas | 1488.24 | J/mol×K | 1091.63 | Joback Calculated Property |
| Cp,gas | 1523.66 | J/mol×K | 1129.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Stigmasta-3,5-diene.
Sources
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