- InChI
- InChI=1S/C28H48O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-28(6)18-16-25-20-26(29-7)19-24(5)27(25)30-28/h19-23H,8-18H2,1-7H3/t22-,23-,28-/m0/s1
- InChI Key
- NWSJWTQKDPRHML-LXWOLXCRSA-N
- Formula
- C28H48O2
- SMILES
-
COc1cc(C)c2c(c1)CCC(C)(CCCC(C)
CCCC(C)CCCC(C)C)O2 - Molecular Weight1
- 416.68
- CAS
- 1116113-36-0
- 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° | 113.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.87 | kJ/mol | Joback Calculated Property |
| log10WS | -9.39 | Crippen Calculated Property | |
| logPoct/wat | 8.526 | Crippen Calculated Property | |
| McVol | 382.500 | ml/mol | McGowan Calculated Property |
| Pc | 853.96 | kPa | Joback Calculated Property |
| Inp | [2886.40; 2886.40] |
|
|
| Inp | 2886.40 | NIST | |
| Inp | 2886.40 | NIST | |
| Tboil | 940.96 | K | Joback Calculated Property |
| Tc | 1154.27 | K | Joback Calculated Property |
| Tfus | 511.42 | K | Joback Calculated Property |
| Vc | 1.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1324.02; 1466.42] | J/mol×K | [940.96; 1154.27] |
|
| Cp,gas | 1324.02 | J/mol×K | 940.96 | Joback Calculated Property |
| Cp,gas | 1348.72 | J/mol×K | 976.51 | Joback Calculated Property |
| Cp,gas | 1372.83 | J/mol×K | 1012.06 | Joback Calculated Property |
| Cp,gas | 1396.50 | J/mol×K | 1047.62 | Joback Calculated Property |
| Cp,gas | 1419.89 | J/mol×K | 1083.17 | Joback Calculated Property |
| Cp,gas | 1443.14 | J/mol×K | 1118.72 | Joback Calculated Property |
| Cp,gas | 1466.42 | J/mol×K | 1154.27 | Joback Calculated Property |
Similar Compounds
Sources
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