- InChI
- InChI=1S/C5H12O2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3
- InChI Key
- KCHNMIKAMRQBHD-UHFFFAOYSA-N
- Formula
- C5H12O2
- SMILES
- CCCCCOO
- Molecular Weight1
- 104.15
- CAS
- 74-80-6
- Other Names
-
- Pentyl hydroperoxide
- n-Amyl hydroperoxide
- Amyl hydroperoxide
- n-C5H11OOH
- 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 |
|---|---|---|---|
| ΔfG° | -352.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.89 | kJ/mol | Joback Calculated Property |
| IE | [9.50; 9.83] | eV |
|
| IE | 9.50 ± 0.30 | eV | NIST |
| IE | 9.83 | eV | NIST |
| log10WS | -1.32 | Crippen Calculated Property | |
| logPoct/wat | 1.666 | Crippen Calculated Property | |
| McVol | 93.050 | ml/mol | McGowan Calculated Property |
| Pc | 3572.80 | kPa | Joback Calculated Property |
| Tboil | 459.31 | K | Joback Calculated Property |
| Tc | 650.41 | K | Joback Calculated Property |
| Tfus | 306.71 | K | Joback Calculated Property |
| Vc | 0.340 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.92; 232.70] | J/mol×K | [459.31; 650.41] |
|
| Cp,gas | 185.92 | J/mol×K | 459.31 | Joback Calculated Property |
| Cp,gas | 194.72 | J/mol×K | 491.16 | Joback Calculated Property |
| Cp,gas | 203.10 | J/mol×K | 523.01 | Joback Calculated Property |
| Cp,gas | 211.08 | J/mol×K | 554.86 | Joback Calculated Property |
| Cp,gas | 218.66 | J/mol×K | 586.71 | Joback Calculated Property |
| Cp,gas | 225.86 | J/mol×K | 618.56 | Joback Calculated Property |
| Cp,gas | 232.70 | J/mol×K | 650.41 | Joback Calculated Property |
| η | [0.0003112; 0.0016683] | Pa×s | [306.71; 459.31] |
|
| η | 0.0016683 | Pa×s | 306.71 | Joback Calculated Property |
| η | 0.0011329 | Pa×s | 332.14 | Joback Calculated Property |
| η | 0.0008129 | Pa×s | 357.58 | Joback Calculated Property |
| η | 0.0006095 | Pa×s | 383.01 | Joback Calculated Property |
| η | 0.0004737 | Pa×s | 408.44 | Joback Calculated Property |
| η | 0.0003792 | Pa×s | 433.88 | Joback Calculated Property |
| η | 0.0003112 | Pa×s | 459.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydroperoxide, pentyl.
Sources
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