- InChI
- InChI=1S/C25H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-24(26)21-23(2)27-25/h10-11,21,25H,3-9,12-20,22H2,1-2H3/b11-10-
- InChI Key
- BWJGPBYNCWFMBW-KHPPLWFESA-N
- Formula
- C25H44O2
- SMILES
-
CCCCCCCCC=CCCCCCCCCCC1CC(=O)C=
C(C)O1 - Molecular Weight1
- 376.62
- CAS
- 243118-18-5
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9437 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.066 | Crippen Calculated Property | |
| McVol | 351.090 | ml/mol | McGowan Calculated Property |
| Pc | 910.53 | kPa | Joback Calculated Property |
| Inp | [2934.70; 2934.70] |
|
|
| Inp | 2934.70 | NIST | |
| Inp | 2934.70 | NIST | |
| Tboil | 656.38 | K | Relay (1.0) Calculated Property |
| Tc | 865.01 | K | Relay (1.0) Calculated Property |
| Tfus | 305.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.298 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1187.30; 1292.32] | J/mol×K | [894.02; 1097.04] |
|
| Cp,gas | 1187.30 | J/mol×K | 894.02 | Joback Calculated Property |
| Cp,gas | 1208.11 | J/mol×K | 927.86 | Joback Calculated Property |
| Cp,gas | 1227.53 | J/mol×K | 961.69 | Joback Calculated Property |
| Cp,gas | 1245.61 | J/mol×K | 995.53 | Joback Calculated Property |
| Cp,gas | 1262.41 | J/mol×K | 1029.37 | Joback Calculated Property |
| Cp,gas | 1277.96 | J/mol×K | 1063.20 | Joback Calculated Property |
| Cp,gas | 1292.32 | J/mol×K | 1097.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-6-Methyl-2-(nonadec-10-en-1-yl)-2H-pyran-4(3H)-one.
Sources
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