- InChI
- InChI=1S/C18H30O3/c1-7-17(19)21-16(12-14(3)4)13-15(5)10-9-11-18(6,20)8-2/h8,10,12,16,20H,2,7,9,11,13H2,1,3-6H3/b15-10+
- InChI Key
- WYWLOZXPFDNZML-XNTDXEJSSA-N
- Formula
- C18H30O3
- SMILES
-
C=CC(C)(O)CCC=C(C)CC(C=C(C)C)O
C(=O)CC - Molecular Weight1
- 294.43
- 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.
- I : 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 | 0.7758 | Relay (... Calculated Property | |
| ΔfG° | -38.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.92 | kJ/mol | Relay (... Calculated Property |
| IE | 8.55 | eV | Relay (... Calculated Property |
| log10WS | -3.11 | Relay (... Calculated Property | |
| logPoct/wat | 4.328 | Crippen Calculated Property | |
| McVol | 264.890 | ml/mol | McGowan Calculated Property |
| Pc | 1451.25 | kPa | Joback Calculated Property |
| Inp | [1757.00; 1757.00] |
|
|
| Inp | 1757.00 | NIST | |
| Inp | 1757.00 | NIST | |
| I | [2378.00; 2378.00] |
|
|
| I | 2378.00 | NIST | |
| I | 2378.00 | NIST | |
| Tboil | 576.57 | K | Relay (... Calculated Property |
| Tc | 754.59 | K | Relay (... Calculated Property |
| Tfus | 291.20 | K | Relay (... Calculated Property |
| Vc | 0.929 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [792.09; 875.02] | J/mol×K | [780.80; 970.56] |
|
| Cp,gas | 792.09 | J/mol×K | 780.80 | Joback Calculated Property |
| Cp,gas | 807.74 | J/mol×K | 812.43 | Joback Calculated Property |
| Cp,gas | 822.57 | J/mol×K | 844.05 | Joback Calculated Property |
| Cp,gas | 836.65 | J/mol×K | 875.68 | Joback Calculated Property |
| Cp,gas | 850.04 | J/mol×K | 907.31 | Joback Calculated Property |
| Cp,gas | 862.81 | J/mol×K | 938.93 | Joback Calculated Property |
| Cp,gas | 875.02 | J/mol×K | 970.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hydroxy-3,7,11-trimethyldodeca-1,6(E),10-trien-9-yl propanoate.
Sources
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