- InChI
- InChI=1S/C13H18Cl2O/c1-2-3-4-5-8-16-10-11-6-7-12(14)9-13(11)15/h6-7,9H,2-5,8,10H2,1H3
- InChI Key
- RTCLSTOXGULHFW-UHFFFAOYSA-N
- Formula
- C13H18Cl2O
- SMILES
- CCCCCCOCc1ccc(Cl)cc1Cl
- Molecular Weight1
- 261.19
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 22.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.31 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 5.090 | Crippen Calculated Property | |
| McVol | 200.620 | ml/mol | McGowan Calculated Property |
| Pc | 1964.82 | kPa | Joback Calculated Property |
| Inp | [1758.00; 1770.00] |
|
|
| Inp | 1759.00 | NIST | |
| Inp | 1764.00 | NIST | |
| Inp | 1766.00 | NIST | |
| Inp | 1768.00 | NIST | |
| Inp | 1762.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Inp | 1769.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Inp | 1758.00 | NIST | |
| Inp | 1763.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Inp | 1767.00 | NIST | |
| Inp | 1759.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Tboil | 630.76 | K | Joback Calculated Property |
| Tc | 836.05 | K | Joback Calculated Property |
| Tfus | 369.80 | K | Joback Calculated Property |
| Vc | 0.771 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.97; 557.29] | J/mol×K | [630.76; 836.05] |
|
| Cp,gas | 479.97 | J/mol×K | 630.76 | Joback Calculated Property |
| Cp,gas | 494.82 | J/mol×K | 664.97 | Joback Calculated Property |
| Cp,gas | 508.85 | J/mol×K | 699.19 | Joback Calculated Property |
| Cp,gas | 522.10 | J/mol×K | 733.40 | Joback Calculated Property |
| Cp,gas | 534.57 | J/mol×K | 767.62 | Joback Calculated Property |
| Cp,gas | 546.29 | J/mol×K | 801.83 | Joback Calculated Property |
| Cp,gas | 557.29 | J/mol×K | 836.05 | Joback Calculated Property |
| η | [0.0001400; 0.0012134] | Pa×s | [369.80; 630.76] |
|
| η | 0.0012134 | Pa×s | 369.80 | Joback Calculated Property |
| η | 0.0007006 | Pa×s | 413.29 | Joback Calculated Property |
| η | 0.0004491 | Pa×s | 456.79 | Joback Calculated Property |
| η | 0.0003110 | Pa×s | 500.28 | Joback Calculated Property |
| η | 0.0002284 | Pa×s | 543.77 | Joback Calculated Property |
| η | 0.0001756 | Pa×s | 587.27 | Joback Calculated Property |
| η | 0.0001400 | Pa×s | 630.76 | Joback Calculated Property |
Similar Compounds
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Sources
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