- InChI
- InChI=1S/C34H58O2/c1-7-8-9-10-14-32(35)36-27-19-21-33(5)26(23-27)15-16-28-30-18-17-29(25(4)13-11-12-24(2)3)34(30,6)22-20-31(28)33/h15,24-25,27-31H,7-14,16-23H2,1-6H3/t25-,27+,28+,29-,30+,31+,33+,34-/m0/s1
- InChI Key
- KXWDMNPRHKRGKB-JKZRPSLESA-N
- Formula
- C34H58O2
- SMILES
-
CCCCCCC(=O)OC1CCC2(C)C(=CCC3C2
CCC2(C)C(C(C)CCCC(C)C)CCC32)C1 - Molecular Weight1
- 498.82
- CAS
- 1182-07-6
- Other Names
-
- Cholesteryl enanthate
- Cholesteryl heptanoate
- Cholesteryl heptonate
- Cholest-5-en-3-ol (3«beta»)-, heptanoate
- 3«beta»-Heptanoyloxycholest-5-ene
- cholesteryl n-heptylate
- cholest-5-ene-3-beta-yl heptanoate
- 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).
- 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° | 165.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -724.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.89 | kJ/mol | Joback Calculated Property |
| log10WS | -10.53 | Crippen Calculated Property | |
| logPoct/wat | 9.910 | Crippen Calculated Property | |
| McVol | 449.620 | ml/mol | McGowan Calculated Property |
| Pc | 706.21 | kPa | Joback Calculated Property |
| Tboil | 1091.65 | K | Joback Calculated Property |
| Tc | 1336.75 | K | Joback Calculated Property |
| Tfus | 387.30 ± 0.50 | K | NIST |
| Vc | 1.718 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1799.10; 2077.20] | J/mol×K | [1091.65; 1336.75] | 
|
| Cp,gas | 1799.10 | J/mol×K | 1091.65 | Joback Calculated Property |
| Cp,gas | 1840.20 | J/mol×K | 1132.50 | Joback Calculated Property |
| Cp,gas | 1882.82 | J/mol×K | 1173.35 | Joback Calculated Property |
| Cp,gas | 1927.40 | J/mol×K | 1214.20 | Joback Calculated Property |
| Cp,gas | 1974.36 | J/mol×K | 1255.05 | Joback Calculated Property |
| Cp,gas | 2024.15 | J/mol×K | 1295.90 | Joback Calculated Property |
| Cp,gas | 2077.20 | J/mol×K | 1336.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesteryl normal-heptylate.
Sources
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