- InChI
- InChI=1S/C18H28O3/c1-4-7-11-15(5-2)14-20-18(19)17(6-3)21-16-12-9-8-10-13-16/h8-10,12-13,15,17H,4-7,11,14H2,1-3H3
- InChI Key
- OPTLGOZUDPLGKB-UHFFFAOYSA-N
- Formula
- C18H28O3
- SMILES
- CCCCC(CC)COC(=O)C(CC)Oc1ccccc1
- Molecular Weight1
- 292.41
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.7592 | Relay (1.0) Calculated Property | |
| ΔfG° | -130.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.604 | Crippen Calculated Property | |
| McVol | 254.030 | ml/mol | McGowan Calculated Property |
| Pc | 1514.03 | kPa | Joback Calculated Property |
| Inp | 1871.00 | NIST | |
| Tboil | 598.50 | K | Relay (1.0) Calculated Property |
| Tc | 790.16 | K | Relay (1.0) Calculated Property |
| Tfus | 257.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.916 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [741.74; 833.40] | J/mol×K | [735.75; 932.65] | 
|
| Cp,gas | 741.74 | J/mol×K | 735.75 | Joback Calculated Property |
| Cp,gas | 759.64 | J/mol×K | 768.57 | Joback Calculated Property |
| Cp,gas | 776.46 | J/mol×K | 801.38 | Joback Calculated Property |
| Cp,gas | 792.22 | J/mol×K | 834.20 | Joback Calculated Property |
| Cp,gas | 806.95 | J/mol×K | 867.01 | Joback Calculated Property |
| Cp,gas | 820.67 | J/mol×K | 899.83 | Joback Calculated Property |
| Cp,gas | 833.40 | J/mol×K | 932.65 | Joback Calculated Property |
| η | [0.0000625; 0.0016164] | Pa×s | [383.43; 735.75] |
|
| η | 0.0016164 | Pa×s | 383.43 | Joback Calculated Property |
| η | 0.0006558 | Pa×s | 442.15 | Joback Calculated Property |
| η | 0.0003287 | Pa×s | 500.87 | Joback Calculated Property |
| η | 0.0001905 | Pa×s | 559.59 | Joback Calculated Property |
| η | 0.0001224 | Pa×s | 618.31 | Joback Calculated Property |
| η | 0.0000849 | Pa×s | 677.03 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 735.75 | Joback Calculated Property |
Similar Compounds
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Sources
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