- InChI
- InChI=1S/C18H18O3/c1-2-21-18(20)13-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
- InChI Key
- PMVQNZOSDZOHCO-UHFFFAOYSA-N
- Formula
- C18H18O3
- SMILES
-
CCOC(=O)CCC(=O)c1ccc(-c2ccccc2
)cc1 - Molecular Weight1
- 282.33
- CAS
- 1230-54-2
- 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 | 0.7057 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.880 | Crippen Calculated Property | |
| McVol | 225.970 | ml/mol | McGowan Calculated Property |
| Pc | 2085.03 | kPa | Joback Calculated Property |
| Inp | [2575.00; 2575.00] |
|
|
| Inp | 2575.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Tboil | 662.80 | K | Relay (1.0) Calculated Property |
| Tc | 880.44 | K | Relay (1.0) Calculated Property |
| Tfus | 378.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.824 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.46; 711.51] | J/mol×K | [799.74; 1030.70] |
|
| Cp,gas | 641.46 | J/mol×K | 799.74 | Joback Calculated Property |
| Cp,gas | 655.99 | J/mol×K | 838.23 | Joback Calculated Property |
| Cp,gas | 669.31 | J/mol×K | 876.73 | Joback Calculated Property |
| Cp,gas | 681.46 | J/mol×K | 915.22 | Joback Calculated Property |
| Cp,gas | 692.51 | J/mol×K | 953.71 | Joback Calculated Property |
| Cp,gas | 702.51 | J/mol×K | 992.20 | Joback Calculated Property |
| Cp,gas | 711.51 | J/mol×K | 1030.70 | Joback Calculated Property |
| η | [0.0000963; 0.0008645] | Pa×s | [480.07; 799.74] |
|
| η | 0.0008645 | Pa×s | 480.07 | Joback Calculated Property |
| η | 0.0004996 | Pa×s | 533.35 | Joback Calculated Property |
| η | 0.0003189 | Pa×s | 586.63 | Joback Calculated Property |
| η | 0.0002194 | Pa×s | 639.90 | Joback Calculated Property |
| η | 0.0001599 | Pa×s | 693.18 | Joback Calculated Property |
| η | 0.0001219 | Pa×s | 746.46 | Joback Calculated Property |
| η | 0.0000963 | Pa×s | 799.74 | Joback Calculated Property |
Similar Compounds
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Sources
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