- InChI
- InChI=1S/C25H30O5/c26-24(28-18-20-9-3-1-4-10-20)15-8-16-25(27)29-19-21-11-7-14-23(17-21)30-22-12-5-2-6-13-22/h2,5-7,11-14,17,20H,1,3-4,8-10,15-16,18-19H2
- InChI Key
- OHAMVGAAFQFREY-UHFFFAOYSA-N
- Formula
- C25H30O5
- SMILES
-
O=C(CCCC(=O)OCC1CCCCC1)OCc1ccc
c(Oc2ccccc2)c1 - Molecular Weight1
- 410.50
- 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 | 0.9766 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -794.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.816 | Crippen Calculated Property | |
| McVol | 325.480 | ml/mol | McGowan Calculated Property |
| Pc | 1380.93 | kPa | Joback Calculated Property |
| Inp | [3254.00; 3254.00] |
|
|
| Inp | 3254.00 | NIST | |
| Inp | 3254.00 | NIST | |
| Tboil | 743.96 | K | Relay (1.0) Calculated Property |
| Tc | 980.47 | K | Relay (1.0) Calculated Property |
| Tfus | 304.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.178 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1096.30; 1145.04] | J/mol×K | [1024.29; 1264.61] |
|
| Cp,gas | 1096.30 | J/mol×K | 1024.29 | Joback Calculated Property |
| Cp,gas | 1109.03 | J/mol×K | 1064.34 | Joback Calculated Property |
| Cp,gas | 1119.85 | J/mol×K | 1104.40 | Joback Calculated Property |
| Cp,gas | 1128.80 | J/mol×K | 1144.45 | Joback Calculated Property |
| Cp,gas | 1135.95 | J/mol×K | 1184.50 | Joback Calculated Property |
| Cp,gas | 1141.35 | J/mol×K | 1224.55 | Joback Calculated Property |
| Cp,gas | 1145.04 | J/mol×K | 1264.61 | Joback Calculated Property |
| η | [0.0000208; 0.0002337] | Pa×s | [610.80; 1024.29] |
|
| η | 0.0002337 | Pa×s | 610.80 | Joback Calculated Property |
| η | 0.0001272 | Pa×s | 679.71 | Joback Calculated Property |
| η | 0.0000775 | Pa×s | 748.63 | Joback Calculated Property |
| η | 0.0000513 | Pa×s | 817.54 | Joback Calculated Property |
| η | 0.0000362 | Pa×s | 886.46 | Joback Calculated Property |
| η | 0.0000269 | Pa×s | 955.38 | Joback Calculated Property |
| η | 0.0000208 | Pa×s | 1024.29 | Joback Calculated Property |
Similar Compounds
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Sources
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