- InChI
- InChI=1S/C5H11ClO3/c6-1-5(2-7,3-8)4-9/h7-9H,1-4H2
- InChI Key
- SJPSAGFZHAWRNW-UHFFFAOYSA-N
- Formula
- C5H11ClO3
- SMILES
- OCC(CO)(CO)CCl
- Molecular Weight1
- 154.59
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.8306 | Relay (1.0) Calculated Property | |
| ΔfG° | -428.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.811 | Crippen Calculated Property | |
| McVol | 111.160 | ml/mol | McGowan Calculated Property |
| Pc | 4822.53 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1500.00] |
|
|
| Inp | 1500.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Tboil | 596.96 | K | Relay (1.0) Calculated Property |
| Tc | 820.86 | K | Relay (1.0) Calculated Property |
| Tfus | 447.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.374 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.47; 312.95] | J/mol×K | [624.54; 791.78] |
|
| Cp,gas | 279.47 | J/mol×K | 624.54 | Joback Calculated Property |
| Cp,gas | 285.84 | J/mol×K | 652.41 | Joback Calculated Property |
| Cp,gas | 291.86 | J/mol×K | 680.29 | Joback Calculated Property |
| Cp,gas | 297.57 | J/mol×K | 708.16 | Joback Calculated Property |
| Cp,gas | 302.97 | J/mol×K | 736.03 | Joback Calculated Property |
| Cp,gas | 308.09 | J/mol×K | 763.90 | Joback Calculated Property |
| Cp,gas | 312.95 | J/mol×K | 791.78 | Joback Calculated Property |
| η | [0.0000105; 0.0176749] | Pa×s | [360.91; 624.54] |
|
| η | 0.0176749 | Pa×s | 360.91 | Joback Calculated Property |
| η | 0.0026171 | Pa×s | 404.85 | Joback Calculated Property |
| η | 0.0005633 | Pa×s | 448.79 | Joback Calculated Property |
| η | 0.0001594 | Pa×s | 492.73 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 536.66 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 580.60 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 624.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentaerythrol monochlorohydrin.
Sources
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