- InChI
- InChI=1S/C7H16O3/c1-4-7(2,3)10-9-6-5-8/h8H,4-6H2,1-3H3
- InChI Key
- IMQAXPAGPCAQIU-UHFFFAOYSA-N
- Formula
- C7H16O3
- SMILES
- CCC(C)(C)OOCCO
- Molecular Weight1
- 148.20
- CAS
- 51452-08-5
- 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).
- 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).
- 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°liquid | -4507.00 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -436.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.10 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -534.20 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 14.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.29 | Crippen Calculated Property | |
| logPoct/wat | 1.115 | Crippen Calculated Property | |
| McVol | 127.100 | ml/mol | McGowan Calculated Property |
| Pc | 2960.12 | kPa | Joback Calculated Property |
| Tboil | 506.73 | K | Joback Calculated Property |
| Tc | 682.92 | K | Joback Calculated Property |
| Tfus | 274.22 | K | Joback Calculated Property |
| Vc | 0.462 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.17; 345.36] | J/mol×K | [506.73; 682.92] | 
|
| Cp,gas | 288.17 | J/mol×K | 506.73 | Joback Calculated Property |
| Cp,gas | 298.99 | J/mol×K | 536.10 | Joback Calculated Property |
| Cp,gas | 309.27 | J/mol×K | 565.46 | Joback Calculated Property |
| Cp,gas | 319.03 | J/mol×K | 594.83 | Joback Calculated Property |
| Cp,gas | 328.29 | J/mol×K | 624.19 | Joback Calculated Property |
| Cp,gas | 337.06 | J/mol×K | 653.56 | Joback Calculated Property |
| Cp,gas | 345.36 | J/mol×K | 682.92 | Joback Calculated Property |
| η | [0.0001332; 0.0344066] | Pa×s | [274.22; 506.73] |
|
| η | 0.0344066 | Pa×s | 274.22 | Joback Calculated Property |
| η | 0.0076863 | Pa×s | 312.97 | Joback Calculated Property |
| η | 0.0023890 | Pa×s | 351.72 | Joback Calculated Property |
| η | 0.0009364 | Pa×s | 390.48 | Joback Calculated Property |
| η | 0.0004347 | Pa×s | 429.23 | Joback Calculated Property |
| η | 0.0002291 | Pa×s | 467.98 | Joback Calculated Property |
| η | 0.0001332 | Pa×s | 506.73 | Joback Calculated Property |
| ΔvapH | 70.10 ± 2.50 | kJ/mol | 290.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Tert-pentylperoxyethanol.
Sources
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