- InChI
- InChI=1S/C12H16O4/c1-2-4-12-11(3-1)15-9-7-13-5-6-14-8-10-16-12/h1-4H,5-10H2
- InChI Key
- OAJNZFCPJVBYHB-UHFFFAOYSA-N
- Formula
- C12H16O4
- SMILES
- c1ccc2c(c1)OCCOCCOCCO2
- Molecular Weight1
- 224.25
- CAS
- 14174-08-4
- Other Names
-
- Benzo-12-crown 4-ether
- Benzo-12-crown-4
- 2,3-Benzo-1,4,7,10-tetraoxacyclododecane
- 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).
- ΔsubH° : Enthalpy of sublimation 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).
- 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° | -207.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.77 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 104.30 ± 2.60 | kJ/mol | NIST |
| ΔvapH° | 82.70 ± 2.30 | kJ/mol | NIST |
| log10WS | -1.45 | Crippen Calculated Property | |
| logPoct/wat | 1.491 | Crippen Calculated Property | |
| McVol | 168.800 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Tboil | 654.72 | K | Joback Calculated Property |
| Tc | 918.02 | K | Joback Calculated Property |
| Tfus | 367.76 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.22; 563.26] | J/mol×K | [654.72; 918.02] | 
|
| Cp,gas | 467.22 | J/mol×K | 654.72 | Joback Calculated Property |
| Cp,gas | 487.59 | J/mol×K | 698.60 | Joback Calculated Property |
| Cp,gas | 506.20 | J/mol×K | 742.49 | Joback Calculated Property |
| Cp,gas | 523.06 | J/mol×K | 786.37 | Joback Calculated Property |
| Cp,gas | 538.19 | J/mol×K | 830.25 | Joback Calculated Property |
| Cp,gas | 551.58 | J/mol×K | 874.14 | Joback Calculated Property |
| Cp,gas | 563.26 | J/mol×K | 918.02 | Joback Calculated Property |
| η | [0.0000481; 0.0033280] | Pa×s | [367.76; 654.72] |
|
| η | 0.0033280 | Pa×s | 367.76 | Joback Calculated Property |
| η | 0.0010939 | Pa×s | 415.59 | Joback Calculated Property |
| η | 0.0004524 | Pa×s | 463.41 | Joback Calculated Property |
| η | 0.0002207 | Pa×s | 511.24 | Joback Calculated Property |
| η | 0.0001217 | Pa×s | 559.07 | Joback Calculated Property |
| η | 0.0000738 | Pa×s | 606.89 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 654.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4,7,10-Benzotetraoxacyclododecin, 2,3,5,6,8,9-hexahydro-.
Sources
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