- InChI
- InChI=1S/C29H48O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-29(7)18-16-26-20-27(31-25(6)30)19-24(5)28(26)32-29/h19-23H,8-18H2,1-7H3
- InChI Key
- TZGGOZSKJGOUCF-UHFFFAOYSA-N
- Formula
- C29H48O3
- SMILES
-
CC(=O)Oc1cc(C)c2c(c1)CCC(C)(CC
CC(C)CCCC(C)CCCC(C)C)O2 - Molecular Weight1
- 444.69
- 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° | -7.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.85 | kJ/mol | Joback Calculated Property |
| log10WS | -9.58 | Crippen Calculated Property | |
| logPoct/wat | 8.443 | Crippen Calculated Property | |
| McVol | 398.160 | ml/mol | McGowan Calculated Property |
| Pc | 837.73 | kPa | Joback Calculated Property |
| Inp | 3027.00 | NIST | |
| Tboil | 1017.71 | K | Joback Calculated Property |
| Tc | 1245.97 | K | Joback Calculated Property |
| Tfus | 572.62 | K | Joback Calculated Property |
| Vc | 1.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1417.29; 1567.71] | J/mol×K | [1017.71; 1245.97] | 
|
| Cp,gas | 1417.29 | J/mol×K | 1017.71 | Joback Calculated Property |
| Cp,gas | 1442.63 | J/mol×K | 1055.75 | Joback Calculated Property |
| Cp,gas | 1467.61 | J/mol×K | 1093.80 | Joback Calculated Property |
| Cp,gas | 1492.42 | J/mol×K | 1131.84 | Joback Calculated Property |
| Cp,gas | 1517.24 | J/mol×K | 1169.88 | Joback Calculated Property |
| Cp,gas | 1542.27 | J/mol×K | 1207.93 | Joback Calculated Property |
| Cp,gas | 1567.71 | J/mol×K | 1245.97 | Joback Calculated Property |
Similar Compounds
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Sources
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