- InChI
- InChI=1S/C25H32O5/c1-2-3-4-10-18-28-24(26)16-8-9-17-25(27)29-20-21-12-11-15-23(19-21)30-22-13-6-5-7-14-22/h5-7,11-15,19H,2-4,8-10,16-18,20H2,1H3
- InChI Key
- PWRXIEMBZLYNGH-UHFFFAOYSA-N
- Formula
- C25H32O5
- SMILES
-
CCCCCCOC(=O)CCCCC(=O)OCc1cccc(
Oc2ccccc2)c1 - Molecular Weight1
- 412.52
- 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 | 1.1073 | Relay (1.0) Calculated Property | |
| ΔfG° | -198.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -824.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.206 | Crippen Calculated Property | |
| McVol | 336.340 | ml/mol | McGowan Calculated Property |
| Pc | 1192.35 | kPa | Joback Calculated Property |
| Inp | 3087.00 | NIST | |
| Tboil | 707.63 | K | Relay (1.0) Calculated Property |
| Tc | 928.79 | K | Relay (1.0) Calculated Property |
| Tfus | 285.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.243 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1104.35; 1162.37] | J/mol×K | [1004.74; 1232.07] | 
|
| Cp,gas | 1104.35 | J/mol×K | 1004.74 | Joback Calculated Property |
| Cp,gas | 1117.86 | J/mol×K | 1042.63 | Joback Calculated Property |
| Cp,gas | 1129.78 | J/mol×K | 1080.52 | Joback Calculated Property |
| Cp,gas | 1140.15 | J/mol×K | 1118.41 | Joback Calculated Property |
| Cp,gas | 1149.00 | J/mol×K | 1156.29 | Joback Calculated Property |
| Cp,gas | 1156.40 | J/mol×K | 1194.18 | Joback Calculated Property |
| Cp,gas | 1162.37 | J/mol×K | 1232.07 | Joback Calculated Property |
| η | [0.0000203; 0.0002109] | Pa×s | [603.42; 1004.74] |
|
| η | 0.0002109 | Pa×s | 603.42 | Joback Calculated Property |
| η | 0.0001174 | Pa×s | 670.31 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 737.19 | Joback Calculated Property |
| η | 0.0000488 | Pa×s | 804.08 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 870.97 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 937.85 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 1004.74 | Joback Calculated Property |
Similar Compounds
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Sources
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