- InChI
- InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(33-27)26(31)23(5)24(6)29(28,32)25(7)30/h20-22,32H,9-19H2,1-8H3
- InChI Key
- NFNYYDIZCJKCQK-UHFFFAOYSA-N
- Formula
- C29H50O4
- SMILES
-
CC(=O)C1(O)C(C)=C(C)C(=O)C12CC
C(C)(CCCC(C)CCCC(C)CCCC(C)C)O2 - Molecular Weight1
- 462.70
- CAS
- 601490-40-8
- 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° | -216.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1004.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.36 | kJ/mol | Joback Calculated Property |
| log10WS | -8.13 | Crippen Calculated Property | |
| logPoct/wat | 6.973 | Crippen Calculated Property | |
| McVol | 408.330 | ml/mol | McGowan Calculated Property |
| Pc | 888.94 | kPa | Joback Calculated Property |
| Inp | [2860.30; 2860.30] |
|
|
| Inp | 2860.30 | NIST | |
| Inp | 2860.30 | NIST | |
| Tboil | 1133.88 | K | Joback Calculated Property |
| Tc | 1394.56 | K | Joback Calculated Property |
| Tfus | 695.71 | K | Joback Calculated Property |
| Vc | 1.563 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1637.03; 2008.74] | J/mol×K | [1133.88; 1394.56] |
|
| Cp,gas | 1637.03 | J/mol×K | 1133.88 | Joback Calculated Property |
| Cp,gas | 1687.54 | J/mol×K | 1177.33 | Joback Calculated Property |
| Cp,gas | 1741.87 | J/mol×K | 1220.77 | Joback Calculated Property |
| Cp,gas | 1800.60 | J/mol×K | 1264.22 | Joback Calculated Property |
| Cp,gas | 1864.28 | J/mol×K | 1307.67 | Joback Calculated Property |
| Cp,gas | 1933.47 | J/mol×K | 1351.11 | Joback Calculated Property |
| Cp,gas | 2008.74 | J/mol×K | 1394.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Tocospiro A.
Sources
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