- InChI
- InChI=1S/C9H10O2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-5H,3,6-7H2
- InChI Key
- CBXMULHQEVXJDI-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- c1ccc2c(c1)OCCCO2
- Molecular Weight1
- 150.17
- CAS
- 7216-18-4
- Other Names
-
- Pyrocatechol trimethylene ether
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -4729.59 ± 0.84 | kJ/mol | NIST |
| ΔfG° | -0.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.56 | kJ/mol | NIST |
| log10WS | -2.02 | Crippen Calculated Property | |
| logPoct/wat | 1.848 | Crippen Calculated Property | |
| McVol | 114.790 | ml/mol | McGowan Calculated Property |
| Pc | 4051.80 | kPa | Joback Calculated Property |
| Tboil | 510.83 | K | Joback Calculated Property |
| Tc | 752.56 | K | Joback Calculated Property |
| Tfus | 298.41 | K | Joback Calculated Property |
| Vc | 0.415 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.99; 331.28] | J/mol×K | [510.83; 752.56] | 
|
| Cp,gas | 255.99 | J/mol×K | 510.83 | Joback Calculated Property |
| Cp,gas | 271.13 | J/mol×K | 551.12 | Joback Calculated Property |
| Cp,gas | 285.15 | J/mol×K | 591.41 | Joback Calculated Property |
| Cp,gas | 298.12 | J/mol×K | 631.69 | Joback Calculated Property |
| Cp,gas | 310.09 | J/mol×K | 671.98 | Joback Calculated Property |
| Cp,gas | 321.13 | J/mol×K | 712.27 | Joback Calculated Property |
| Cp,gas | 331.28 | J/mol×K | 752.56 | Joback Calculated Property |
| η | [0.0003211; 0.0036911] | Pa×s | [298.41; 510.83] |
|
| η | 0.0036911 | Pa×s | 298.41 | Joback Calculated Property |
| η | 0.0019800 | Pa×s | 333.81 | Joback Calculated Property |
| η | 0.0011969 | Pa×s | 369.22 | Joback Calculated Property |
| η | 0.0007902 | Pa×s | 404.62 | Joback Calculated Property |
| η | 0.0005577 | Pa×s | 440.02 | Joback Calculated Property |
| η | 0.0004146 | Pa×s | 475.43 | Joback Calculated Property |
| η | 0.0003211 | Pa×s | 510.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-1,5-Benzodioxepin, 3,4-dihydro-.
Sources
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