- InChI
- InChI=1S/C34H56O2/c1-21(2)24(5)22(3)20-23(4)26-14-18-34(11)28-12-13-29-31(7,8)30(36-25(6)35)16-17-32(29,9)27(28)15-19-33(26,34)10/h15,20-21,23-24,26,28-30H,12-14,16-19H2,1-11H3/b22-20+/t23-,24?,26?,28?,29?,30-,32+,33+,34-/m1/s1
- InChI Key
- DCHBAAPZUNMZRD-GXKVWZMLSA-N
- Formula
- C34H56O2
- SMILES
-
CC(=O)OC1CCC2(C)C3=CCC4(C)C(C(
C)C=C(C)C(C)C(C)C)CCC4(C)C3CCC 2C1(C)C - Molecular Weight1
- 496.81
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6493 | Relay (1.0) Calculated Property | |
| ΔfG° | 215.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.398 | Crippen Calculated Property | |
| McVol | 445.320 | ml/mol | McGowan Calculated Property |
| Pc | 754.33 | kPa | Joback Calculated Property |
| Inp | 3498.00 | NIST | |
| Tboil | 698.36 | K | Relay (1.0) Calculated Property |
| Tc | 994.29 | K | Relay (1.0) Calculated Property |
| Tfus | 438.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.571 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1817.56; 2259.77] | J/mol×K | [1091.06; 1338.48] | 
|
| Cp,gas | 1817.56 | J/mol×K | 1091.06 | Joback Calculated Property |
| Cp,gas | 1876.58 | J/mol×K | 1132.30 | Joback Calculated Property |
| Cp,gas | 1940.53 | J/mol×K | 1173.53 | Joback Calculated Property |
| Cp,gas | 2010.12 | J/mol×K | 1214.77 | Joback Calculated Property |
| Cp,gas | 2086.04 | J/mol×K | 1256.01 | Joback Calculated Property |
| Cp,gas | 2169.03 | J/mol×K | 1297.24 | Joback Calculated Property |
| Cp,gas | 2259.77 | J/mol×K | 1338.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24,25-Dimethyl-9(11),23-lanostadienol acetate.
Sources
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