- 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
- 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 | 0.6169 | Relay (1.0) Calculated Property | |
| ΔfG° | -250.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.50; 9.83] | eV |
|
| IE | 9.50 ± 0.30 | eV | NIST |
| IE | 9.83 | eV | NIST |
| log10WS | -0.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.666 | Crippen Calculated Property | |
| McVol | 93.050 | ml/mol | McGowan Calculated Property |
| Pc | 3796.32 | kPa | Joback Calculated Property |
| Tboil | 400.05 | K | Relay (1.0) Calculated Property |
| Tc | 618.34 | K | Relay (1.0) Calculated Property |
| Tfus | 265.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.357 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.31; 236.91] | J/mol×K | [428.60; 590.63] |
|
| Cp,gas | 191.31 | J/mol×K | 428.60 | Joback Calculated Property |
| Cp,gas | 199.51 | J/mol×K | 455.61 | Joback Calculated Property |
| Cp,gas | 207.46 | J/mol×K | 482.61 | Joback Calculated Property |
| Cp,gas | 215.18 | J/mol×K | 509.62 | Joback Calculated Property |
| Cp,gas | 222.66 | J/mol×K | 536.62 | Joback Calculated Property |
| Cp,gas | 229.90 | J/mol×K | 563.63 | Joback Calculated Property |
| Cp,gas | 236.91 | J/mol×K | 590.63 | Joback Calculated Property |
| η | [0.0002261; 0.0464966] | Pa×s | [229.16; 428.60] |
|
| η | 0.0464966 | Pa×s | 229.16 | Joback Calculated Property |
| η | 0.0109076 | Pa×s | 262.40 | Joback Calculated Property |
| η | 0.0035452 | Pa×s | 295.64 | Joback Calculated Property |
| η | 0.0014461 | Pa×s | 328.88 | Joback Calculated Property |
| η | 0.0006955 | Pa×s | 362.12 | Joback Calculated Property |
| η | 0.0003783 | Pa×s | 395.36 | Joback Calculated Property |
| η | 0.0002261 | Pa×s | 428.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydroperoxide, pentyl.
Sources
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