- InChI
- InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
- InChI Key
- OLBCVFGFOZPWHH-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CC(C)c1cccc(C(C)C)c1O
- Molecular Weight1
- 178.27
- CAS
- 2078-54-8
- Other Names
-
- Phenol, 2,6-bis(1-methylethyl)-
- Phenol, 2,6-diisopropyl-
- 2,6-Diisopropylphenol
- Diprivan
- ICI 35868
- 2,6-Bis(1-methylethyl)phenol
- Disoprofol
- Disoprivan
- Rapinovet
- 2,6-bis(Isopropyl)phenol
- Ampofol
- Aquafol
- Diprifusor
- Diprivan 10
- Diprofol
- Fresofol
- Ivofol
- NSC 5105
- Pofol
- Propofol-lipuro
- Propovan
- Recofol
- ΔcH°liquid : Standard liquid 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°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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°liquid | -6962.00 | kJ/mol | NIST |
| ΔfG° | -6.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-254.10; -244.40] | kJ/mol |
|
| ΔfH°gas | -254.10 ± 2.80 | kJ/mol | NIST |
| ΔfH°gas | -244.40 | kJ/mol | NIST |
| ΔfH°liquid | -330.00 | kJ/mol | NIST |
| ΔfusH° | 19.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [68.70; 86.11] | kJ/mol |
|
| ΔvapH° | 68.70 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 86.11 | kJ/mol | NIST |
| ΔvapH° | 85.60 | kJ/mol | NIST |
| 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 |
| Inp | [235.30; 1365.60] |
|
|
| Inp | 1364.80 | NIST | |
| Inp | 1334.60 | NIST | |
| Inp | 1361.10 | NIST | |
| Inp | 1362.70 | NIST | |
| Inp | 1365.60 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | Outlier 235.30 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1364.80 | NIST | |
| I | 1992.00 | NIST | |
| 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 |
| ΔfusH | [14.64; 14.64] | kJ/mol | [292.80; 292.80] |
|
| ΔfusH | 14.64 | kJ/mol | 292.80 | NIST |
| ΔfusH | 14.64 | kJ/mol | 292.80 | NIST |
| ΔvapH | 67.90 ± 0.30 | kJ/mol | 310.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 529.20 | K | 102.00 | NIST |
Similar Compounds
Find more compounds similar to Propofol.
Sources
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