- InChI
- InChI=1S/C29H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-26-28(30)25-27(2)31-29/h10-11,25,29H,3-9,12-24,26H2,1-2H3/b11-10-
- InChI Key
- DCWXKWMWPSIAIY-KHPPLWFESA-N
- Formula
- C29H52O2
- SMILES
-
CCCCCCCCC=CCCCCCCCCCCCCCC1CC(=
O)C=C(C)O1 - Molecular Weight1
- 432.72
- CAS
- 243118-20-9
- 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° | 109.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -693.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.25 | kJ/mol | Joback Calculated Property |
| log10WS | -10.54 | Crippen Calculated Property | |
| logPoct/wat | 9.626 | Crippen Calculated Property | |
| McVol | 407.450 | ml/mol | McGowan Calculated Property |
| Pc | 731.25 | kPa | Joback Calculated Property |
| Inp | [3353.60; 3353.60] |
|
|
| Inp | 3353.60 | NIST | |
| Inp | 3353.60 | NIST | |
| Tboil | 985.54 | K | Joback Calculated Property |
| Tc | 1208.13 | K | Joback Calculated Property |
| Tfus | 526.96 | K | Joback Calculated Property |
| Vc | 1.587 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1445.49; 1553.40] | J/mol×K | [985.54; 1208.13] |
|
| Cp,gas | 1445.49 | J/mol×K | 985.54 | Joback Calculated Property |
| Cp,gas | 1467.48 | J/mol×K | 1022.64 | Joback Calculated Property |
| Cp,gas | 1487.76 | J/mol×K | 1059.74 | Joback Calculated Property |
| Cp,gas | 1506.42 | J/mol×K | 1096.84 | Joback Calculated Property |
| Cp,gas | 1523.53 | J/mol×K | 1133.93 | Joback Calculated Property |
| Cp,gas | 1539.16 | J/mol×K | 1171.03 | Joback Calculated Property |
| Cp,gas | 1553.40 | J/mol×K | 1208.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-6-Methyl-2-(tricos-14-en-1-yl)-2H-pyran-4(3H)-one.
Sources
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