- InChI
- InChI=1S/C13H20O/c1-8-9(2)11(4)13(7-14-6)12(5)10(8)3/h7H2,1-6H3
- InChI Key
- QQFRJMBCRUNMHT-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- COCc1c(C)c(C)c(C)c(C)c1C
- Molecular Weight1
- 192.30
- CAS
- 20145-50-0
- 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).
- 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 | 0.5115 | Relay (1.0) Calculated Property | |
| ΔfG° | 17.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.375 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| Tboil | 537.29 | K | Relay (1.0) Calculated Property |
| Tc | 752.81 | K | Relay (1.0) Calculated Property |
| Tfus | 361.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.07; 506.16] | J/mol×K | [570.84; 770.98] | 
|
| Cp,gas | 421.07 | J/mol×K | 570.84 | Joback Calculated Property |
| Cp,gas | 436.86 | J/mol×K | 604.20 | Joback Calculated Property |
| Cp,gas | 452.00 | J/mol×K | 637.55 | Joback Calculated Property |
| Cp,gas | 466.51 | J/mol×K | 670.91 | Joback Calculated Property |
| Cp,gas | 480.37 | J/mol×K | 704.27 | Joback Calculated Property |
| Cp,gas | 493.59 | J/mol×K | 737.62 | Joback Calculated Property |
| Cp,gas | 506.16 | J/mol×K | 770.98 | Joback Calculated Property |
| η | [0.0001422; 0.0007142] | Pa×s | [347.52; 570.84] |
|
| η | 0.0007142 | Pa×s | 347.52 | Joback Calculated Property |
| η | 0.0004792 | Pa×s | 384.74 | Joback Calculated Property |
| η | 0.0003449 | Pa×s | 421.96 | Joback Calculated Property |
| η | 0.0002619 | Pa×s | 459.18 | Joback Calculated Property |
| η | 0.0002072 | Pa×s | 496.40 | Joback Calculated Property |
| η | 0.0001694 | Pa×s | 533.62 | Joback Calculated Property |
| η | 0.0001422 | Pa×s | 570.84 | Joback Calculated Property |
Similar Compounds
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Sources
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