- InChI
- InChI=1S/C12H18O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h7-8,13H,4-6H2,1-3H3
- InChI Key
- IBRWTCISGCXHQZ-UHFFFAOYSA-N
- Formula
- C12H18O4
- SMILES
- COc1cc(CCCO)cc(OC)c1OC
- Molecular Weight1
- 226.27
- 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 | 0.8834 | Relay (1.0) Calculated Property | |
| ΔfG° | -318.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.637 | Crippen Calculated Property | |
| McVol | 179.660 | ml/mol | McGowan Calculated Property |
| Pc | 2395.87 | kPa | Joback Calculated Property |
| Inp | [1804.00; 1804.00] |
|
|
| Inp | 1804.00 | NIST | |
| Inp | 1804.00 | NIST | |
| Tboil | 607.59 | K | Relay (1.0) Calculated Property |
| Tc | 804.84 | K | Relay (1.0) Calculated Property |
| Tfus | 350.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.60; 550.46] | J/mol×K | [675.02; 862.72] |
|
| Cp,gas | 482.60 | J/mol×K | 675.02 | Joback Calculated Property |
| Cp,gas | 495.47 | J/mol×K | 706.30 | Joback Calculated Property |
| Cp,gas | 507.73 | J/mol×K | 737.59 | Joback Calculated Property |
| Cp,gas | 519.38 | J/mol×K | 768.87 | Joback Calculated Property |
| Cp,gas | 530.39 | J/mol×K | 800.15 | Joback Calculated Property |
| Cp,gas | 540.76 | J/mol×K | 831.44 | Joback Calculated Property |
| Cp,gas | 550.46 | J/mol×K | 862.72 | Joback Calculated Property |
| η | [0.0000287; 0.0006571] | Pa×s | [416.49; 675.02] |
|
| η | 0.0006571 | Pa×s | 416.49 | Joback Calculated Property |
| η | 0.0003052 | Pa×s | 459.58 | Joback Calculated Property |
| η | 0.0001617 | Pa×s | 502.67 | Joback Calculated Property |
| η | 0.0000947 | Pa×s | 545.75 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 588.84 | Joback Calculated Property |
| η | 0.0000404 | Pa×s | 631.93 | Joback Calculated Property |
| η | 0.0000287 | Pa×s | 675.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanol, 3-(3,4,5-trimethoxyphenyl).
Sources
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