- InChI
- InChI=1S/C12H18O/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h5-9,13H,1-4H3
- InChI Key
- YYOQJBLGFMMRLJ-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CC(C)c1cc(O)cc(C(C)C)c1
- Molecular Weight1
- 178.27
- CAS
- 3374-41-2
- ΔcH°solid : Standard solid 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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°solid | -6958.00 | kJ/mol | NIST |
| ΔfG° | -6.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.00 | kJ/mol | NIST |
| ΔfH°solid | -330.00 | kJ/mol | NIST |
| ΔfusH° | 19.22 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [94.00; 98.24] | kJ/mol |
|
| ΔsubH° | 98.24 | kJ/mol | NIST |
| ΔsubH° | 94.00 | kJ/mol | NIST |
| ΔvapH° | 57.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 3.639 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Tboil | 585.36 | K | Joback Calculated Property |
| Tc | 806.59 | K | Joback Calculated Property |
| Tfus | 345.66 | K | Joback Calculated Property |
| Vc | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.79; 487.16] | J/mol×K | [585.36; 806.59] |
|
| Cp,gas | 405.79 | J/mol×K | 585.36 | Joback Calculated Property |
| Cp,gas | 421.56 | J/mol×K | 622.23 | Joback Calculated Property |
| Cp,gas | 436.33 | J/mol×K | 659.10 | Joback Calculated Property |
| Cp,gas | 450.20 | J/mol×K | 695.97 | Joback Calculated Property |
| Cp,gas | 463.24 | J/mol×K | 732.85 | Joback Calculated Property |
| Cp,gas | 475.53 | J/mol×K | 769.72 | Joback Calculated Property |
| Cp,gas | 487.16 | J/mol×K | 806.59 | Joback Calculated Property |
| η | [0.0000319; 0.0036943] | Pa×s | [345.66; 585.36] |
|
| η | 0.0036943 | Pa×s | 345.66 | Joback Calculated Property |
| η | 0.0011103 | Pa×s | 385.61 | Joback Calculated Property |
| η | 0.0004182 | Pa×s | 425.56 | Joback Calculated Property |
| η | 0.0001862 | Pa×s | 465.51 | Joback Calculated Property |
| η | 0.0000943 | Pa×s | 505.46 | Joback Calculated Property |
| η | 0.0000527 | Pa×s | 545.41 | Joback Calculated Property |
| η | 0.0000319 | Pa×s | 585.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Diisopropylphenol.
Sources
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