- InChI
- InChI=1S/C3H8O2/c1-3(2)5-4/h3-4H,1-2H3
- InChI Key
- SGJUFIMCHSLMRJ-UHFFFAOYSA-N
- Formula
- C3H8O2
- SMILES
- CC(C)OO
- Molecular Weight1
- 76.09
- CAS
- 3031-75-2
- Other Names
-
- Isopropyl hydroperoxide
- (CH3)2CHOOH
- 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 | 0.5232 | Relay (1.0) Calculated Property | |
| ΔfG° | -269.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.10 | kJ/mol | NIST |
| ΔfusH° | 5.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.884 | Crippen Calculated Property | |
| McVol | 64.870 | ml/mol | McGowan Calculated Property |
| Pc | 4938.44 | kPa | Joback Calculated Property |
| Tboil | 337.56 | K | Relay (1.0) Calculated Property |
| Tc | 522.35 | K | Relay (1.0) Calculated Property |
| Tfus | 272.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.249 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [96.71; 211.81] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.92700e+01 | |||
| Coefficient B | 2.65540e-01 | |||
| Coefficient C | -6.20000e-05 | |||
| Coefficient D | -2.10000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 96.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 114.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 131.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 146.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 161.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 174.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 185.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 195.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 204.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 211.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1898932; 0.0002941] | Pa×s | [191.62; 384.38] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.45640e+01 | |||
| Coefficient B | 2.47242e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 191.62 | |||
| Temperature range, max. | 384.38 | |||
| η | 0.1898932 | Pa×s | 191.62 | Calculated Property |
| η | 0.0518988 | Pa×s | 213.04 | Calculated Property |
| η | 0.0179775 | Pa×s | 234.46 | Calculated Property |
| η | 0.0074367 | Pa×s | 255.87 | Calculated Property |
| η | 0.0035258 | Pa×s | 277.29 | Calculated Property |
| η | 0.0018604 | Pa×s | 298.71 | Calculated Property |
| η | 0.0010693 | Pa×s | 320.13 | Calculated Property |
| η | 0.0006588 | Pa×s | 341.54 | Calculated Property |
| η | 0.0004298 | Pa×s | 362.96 | Calculated Property |
| η | 0.0002941 | Pa×s | 384.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Hydroperoxide, 1-methylethyl.
Sources
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