- InChI
- InChI=1S/C29H50O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-29(7)19-17-26-25(6)27(30-8)20-24(5)28(26)31-29/h20-23H,9-19H2,1-8H3
- InChI Key
- AGSJHGZIOXTYIA-UHFFFAOYSA-N
- Formula
- C29H50O2
- SMILES
-
COc1cc(C)c2c(c1C)CCC(C)(CCCC(C
)CCCC(C)CCCC(C)C)O2 - Molecular Weight1
- 430.71
- 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° | 111.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -649.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.76 | kJ/mol | Joback Calculated Property |
| log10WS | -9.86 | Crippen Calculated Property | |
| logPoct/wat | 8.835 | Crippen Calculated Property | |
| McVol | 396.590 | ml/mol | McGowan Calculated Property |
| Pc | 801.15 | kPa | Joback Calculated Property |
| Inp | [2960.00; 2960.00] |
|
|
| Inp | 2960.00 | NIST | |
| Inp | 2960.00 | NIST | |
| Tboil | 968.82 | K | Joback Calculated Property |
| Tc | 1186.68 | K | Joback Calculated Property |
| Tfus | 535.21 | K | Joback Calculated Property |
| Vc | 1.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1391.28; 1539.41] | J/mol×K | [968.82; 1186.68] |
|
| Cp,gas | 1391.28 | J/mol×K | 968.82 | Joback Calculated Property |
| Cp,gas | 1416.83 | J/mol×K | 1005.13 | Joback Calculated Property |
| Cp,gas | 1441.82 | J/mol×K | 1041.44 | Joback Calculated Property |
| Cp,gas | 1466.42 | J/mol×K | 1077.75 | Joback Calculated Property |
| Cp,gas | 1490.77 | J/mol×K | 1114.06 | Joback Calculated Property |
| Cp,gas | 1515.05 | J/mol×K | 1150.37 | Joback Calculated Property |
| Cp,gas | 1539.41 | J/mol×K | 1186.68 | Joback Calculated Property |
Similar Compounds
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Sources
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