- InChI
- InChI=1S/C25H24O5/c1-18(2)16-28-24(26)22-13-6-7-14-23(22)25(27)29-17-19-9-8-12-21(15-19)30-20-10-4-3-5-11-20/h3-15,18H,16-17H2,1-2H3
- InChI Key
- KDTWYGJWNAKKOR-UHFFFAOYSA-N
- Formula
- C25H24O5
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCc1c
ccc(Oc2ccccc2)c1 - Molecular Weight1
- 404.46
- 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 | 0.9624 | Relay (1.0) Calculated Property | |
| ΔfG° | -97.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.649 | Crippen Calculated Property | |
| McVol | 312.580 | ml/mol | McGowan Calculated Property |
| Pc | 1511.67 | kPa | Joback Calculated Property |
| Inp | [3070.00; 3070.00] |
|
|
| Inp | 3070.00 | NIST | |
| Inp | 3070.00 | NIST | |
| Tboil | 723.50 | K | Relay (1.0) Calculated Property |
| Tc | 1006.52 | K | Relay (1.0) Calculated Property |
| Tfus | 304.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.138 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [992.21; 1030.89] | J/mol×K | [1035.96; 1282.66] |
|
| Cp,gas | 992.21 | J/mol×K | 1035.96 | Joback Calculated Property |
| Cp,gas | 1002.77 | J/mol×K | 1077.08 | Joback Calculated Property |
| Cp,gas | 1011.62 | J/mol×K | 1118.19 | Joback Calculated Property |
| Cp,gas | 1018.80 | J/mol×K | 1159.31 | Joback Calculated Property |
| Cp,gas | 1024.37 | J/mol×K | 1200.43 | Joback Calculated Property |
| Cp,gas | 1028.38 | J/mol×K | 1241.54 | Joback Calculated Property |
| Cp,gas | 1030.89 | J/mol×K | 1282.66 | Joback Calculated Property |
| η | [0.0000197; 0.0001841] | Pa×s | [627.36; 1035.96] |
|
| η | 0.0001841 | Pa×s | 627.36 | Joback Calculated Property |
| η | 0.0001056 | Pa×s | 695.46 | Joback Calculated Property |
| η | 0.0000669 | Pa×s | 763.56 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 831.66 | Joback Calculated Property |
| η | 0.0000331 | Pa×s | 899.76 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 967.86 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 1035.96 | Joback Calculated Property |
Similar Compounds
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Sources
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