- InChI
- InChI=1S/C12H18O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h7-8H,5-6H2,1-4H3
- InChI Key
- AOVUTAOJQZOAGA-UHFFFAOYSA-N
- Formula
- C12H18O3
- SMILES
- CCCc1cc(OC)c(OC)c(OC)c1
- Molecular Weight1
- 210.27
- 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 | 0.6646 | Relay (1.0) Calculated Property | |
| ΔfG° | -181.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.665 | Crippen Calculated Property | |
| McVol | 173.790 | ml/mol | McGowan Calculated Property |
| Pc | 2193.84 | kPa | Joback Calculated Property |
| Inp | [1730.00; 1730.00] |
|
|
| Inp | 1730.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Tboil | 546.35 | K | Relay (1.0) Calculated Property |
| Tc | 736.66 | K | Relay (1.0) Calculated Property |
| Tfus | 313.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.648 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.58; 505.52] | J/mol×K | [582.84; 780.29] |
|
| Cp,gas | 424.58 | J/mol×K | 582.84 | Joback Calculated Property |
| Cp,gas | 439.63 | J/mol×K | 615.75 | Joback Calculated Property |
| Cp,gas | 454.08 | J/mol×K | 648.66 | Joback Calculated Property |
| Cp,gas | 467.91 | J/mol×K | 681.57 | Joback Calculated Property |
| Cp,gas | 481.11 | J/mol×K | 714.47 | Joback Calculated Property |
| Cp,gas | 493.65 | J/mol×K | 747.38 | Joback Calculated Property |
| Cp,gas | 505.52 | J/mol×K | 780.29 | Joback Calculated Property |
| η | [0.0001064; 0.0006752] | Pa×s | [355.67; 582.84] |
|
| η | 0.0006752 | Pa×s | 355.67 | Joback Calculated Property |
| η | 0.0004279 | Pa×s | 393.53 | Joback Calculated Property |
| η | 0.0002938 | Pa×s | 431.39 | Joback Calculated Property |
| η | 0.0002143 | Pa×s | 469.25 | Joback Calculated Property |
| η | 0.0001639 | Pa×s | 507.12 | Joback Calculated Property |
| η | 0.0001301 | Pa×s | 544.98 | Joback Calculated Property |
| η | 0.0001064 | Pa×s | 582.84 | Joback Calculated Property |
Similar Compounds
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Sources
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