- InChI
- InChI=1S/C18H28O3/c1-13(2)6-9-17(12-14(3)4)21-18(19)15-7-10-16(20-5)11-8-15/h14-17H,1,7-8,10-12H2,2-5H3
- InChI Key
- DHFKPFBAKHXUIT-UHFFFAOYSA-N
- Formula
- C18H28O3
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)C1CCC(
OC)CC1 - Molecular Weight1
- 292.41
- 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° | 55.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.59 | Crippen Calculated Property | |
| logPoct/wat | 3.729 | Crippen Calculated Property | |
| McVol | 254.030 | ml/mol | McGowan Calculated Property |
| Pc | 1572.21 | kPa | Joback Calculated Property |
| Inp | [1928.00; 1928.00] |
|
|
| Inp | 1928.00 | NIST | |
| Inp | 1928.00 | NIST | |
| Tboil | 729.51 | K | Joback Calculated Property |
| Tc | 944.82 | K | Joback Calculated Property |
| Tfus | 450.53 | K | Joback Calculated Property |
| Vc | 0.950 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [751.47; 857.38] | J/mol×K | [729.51; 944.82] |
|
| Cp,gas | 751.47 | J/mol×K | 729.51 | Joback Calculated Property |
| Cp,gas | 772.51 | J/mol×K | 765.39 | Joback Calculated Property |
| Cp,gas | 792.17 | J/mol×K | 801.28 | Joback Calculated Property |
| Cp,gas | 810.47 | J/mol×K | 837.16 | Joback Calculated Property |
| Cp,gas | 827.43 | J/mol×K | 873.05 | Joback Calculated Property |
| Cp,gas | 843.06 | J/mol×K | 908.93 | Joback Calculated Property |
| Cp,gas | 857.38 | J/mol×K | 944.82 | Joback Calculated Property |
Similar Compounds
Sources
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