- InChI
- InChI=1S/C18H18O4/c1-11(19)21-17-8-7-15-9-13-5-3-4-6-14(13)10-16(15)18(17)22-12(2)20/h3-6,9-10,17-18H,7-8H2,1-2H3/t17-,18-/m0/s1
- InChI Key
- PNDAQWCWYKIKQO-ROUUACIJSA-N
- Formula
- C18H18O4
- SMILES
-
CC(=O)OC1CCc2cc3ccccc3cc2C1OC(
C)=O - Molecular Weight1
- 298.33
- 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).
- 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° | -126.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.99 | kJ/mol | Joback Calculated Property |
| log10WS | -4.75 | Crippen Calculated Property | |
| logPoct/wat | 3.322 | Crippen Calculated Property | |
| McVol | 225.280 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | 2250.00 | NIST | |
| Tboil | 825.78 | K | Joback Calculated Property |
| Tc | 1059.77 | K | Joback Calculated Property |
| Tfus | 531.28 | K | Joback Calculated Property |
| Vc | 0.854 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.20; 750.68] | J/mol×K | [825.78; 1059.77] | 
|
| Cp,gas | 678.20 | J/mol×K | 825.78 | Joback Calculated Property |
| Cp,gas | 693.10 | J/mol×K | 864.78 | Joback Calculated Property |
| Cp,gas | 706.80 | J/mol×K | 903.78 | Joback Calculated Property |
| Cp,gas | 719.34 | J/mol×K | 942.77 | Joback Calculated Property |
| Cp,gas | 730.79 | J/mol×K | 981.77 | Joback Calculated Property |
| Cp,gas | 741.22 | J/mol×K | 1020.77 | Joback Calculated Property |
| Cp,gas | 750.68 | J/mol×K | 1059.77 | Joback Calculated Property |
| η | [0.0003852; 0.0013115] | Pa×s | [531.28; 825.78] |
|
| η | 0.0013115 | Pa×s | 531.28 | Joback Calculated Property |
| η | 0.0009809 | Pa×s | 580.36 | Joback Calculated Property |
| η | 0.0007676 | Pa×s | 629.45 | Joback Calculated Property |
| η | 0.0006223 | Pa×s | 678.53 | Joback Calculated Property |
| η | 0.0005191 | Pa×s | 727.61 | Joback Calculated Property |
| η | 0.0004430 | Pa×s | 776.70 | Joback Calculated Property |
| η | 0.0003852 | Pa×s | 825.78 | Joback Calculated Property |
Similar Compounds
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Sources
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