- InChI
- InChI=1S/C12H18O2/c1-5-6-10-7-8-11(13-3)9(2)12(10)14-4/h7-8H,5-6H2,1-4H3
- InChI Key
- NRIXNYIKCHUTPF-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- CCCc1ccc(OC)c(C)c1OC
- Molecular Weight1
- 194.27
- 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 | 0.5923 | Relay (1.0) Calculated Property | |
| ΔfG° | -76.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.965 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | [1440.00; 1454.00] |
|
|
| Inp | 1440.00 | NIST | |
| Inp | 1454.00 | NIST | |
| Tboil | 532.53 | K | Relay (1.0) Calculated Property |
| Tc | 728.95 | K | Relay (1.0) Calculated Property |
| Tfus | 294.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.620 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.69; 480.61] | J/mol×K | [560.42; 759.59] |
|
| Cp,gas | 398.69 | J/mol×K | 560.42 | Joback Calculated Property |
| Cp,gas | 413.94 | J/mol×K | 593.62 | Joback Calculated Property |
| Cp,gas | 428.55 | J/mol×K | 626.81 | Joback Calculated Property |
| Cp,gas | 442.54 | J/mol×K | 660.01 | Joback Calculated Property |
| Cp,gas | 455.88 | J/mol×K | 693.20 | Joback Calculated Property |
| Cp,gas | 468.57 | J/mol×K | 726.40 | Joback Calculated Property |
| Cp,gas | 480.61 | J/mol×K | 759.59 | Joback Calculated Property |
| η | [0.0001306; 0.0008729] | Pa×s | [333.44; 560.42] |
|
| η | 0.0008729 | Pa×s | 333.44 | Joback Calculated Property |
| η | 0.0005412 | Pa×s | 371.27 | Joback Calculated Property |
| η | 0.0003666 | Pa×s | 409.10 | Joback Calculated Property |
| η | 0.0002652 | Pa×s | 446.93 | Joback Calculated Property |
| η | 0.0002018 | Pa×s | 484.76 | Joback Calculated Property |
| η | 0.0001598 | Pa×s | 522.59 | Joback Calculated Property |
| η | 0.0001306 | Pa×s | 560.42 | Joback Calculated Property |
Similar Compounds
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Sources
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