- InChI
- InChI=1S/C23H28O4/c24-22(26-18-16-20-10-4-1-5-11-20)14-8-3-9-15-23(25)27-19-17-21-12-6-2-7-13-21/h1-2,4-7,10-13H,3,8-9,14-19H2
- InChI Key
- LSKMSPAJKQIPCN-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
O=C(CCCCCC(=O)OCCc1ccccc1)OCCc
1ccccc1 - Molecular Weight1
- 368.47
- 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° | -100.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.66 | kJ/mol | Joback Calculated Property |
| log10WS | -5.38 | Crippen Calculated Property | |
| logPoct/wat | 4.509 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1400.64 | kPa | Joback Calculated Property |
| Inp | [2284.00; 2284.00] |
|
|
| Inp | 2284.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Tboil | 931.58 | K | Joback Calculated Property |
| Tc | 1152.51 | K | Joback Calculated Property |
| Tfus | 546.13 | K | Joback Calculated Property |
| Vc | 1.155 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [958.01; 1026.22] | J/mol×K | [931.58; 1152.51] |
|
| Cp,gas | 958.01 | J/mol×K | 931.58 | Joback Calculated Property |
| Cp,gas | 972.52 | J/mol×K | 968.40 | Joback Calculated Property |
| Cp,gas | 985.70 | J/mol×K | 1005.22 | Joback Calculated Property |
| Cp,gas | 997.60 | J/mol×K | 1042.04 | Joback Calculated Property |
| Cp,gas | 1008.29 | J/mol×K | 1078.87 | Joback Calculated Property |
| Cp,gas | 1017.81 | J/mol×K | 1115.69 | Joback Calculated Property |
| Cp,gas | 1026.22 | J/mol×K | 1152.51 | Joback Calculated Property |
| η | [0.0000360; 0.0004322] | Pa×s | [546.13; 931.58] |
|
| η | 0.0004322 | Pa×s | 546.13 | Joback Calculated Property |
| η | 0.0002297 | Pa×s | 610.37 | Joback Calculated Property |
| η | 0.0001377 | Pa×s | 674.61 | Joback Calculated Property |
| η | 0.0000902 | Pa×s | 738.86 | Joback Calculated Property |
| η | 0.0000633 | Pa×s | 803.10 | Joback Calculated Property |
| η | 0.0000468 | Pa×s | 867.34 | Joback Calculated Property |
| η | 0.0000360 | Pa×s | 931.58 | Joback Calculated Property |
Similar Compounds
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Sources
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