- InChI
- InChI=1S/C15H16ClO3P/c1-12-3-7-14(8-4-12)18-20(17,11-16)19-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
- InChI Key
- HRCCBPVNYXGUII-UHFFFAOYSA-N
- Formula
- C15H16ClO3P
- SMILES
-
Cc1ccc(OP(=O)(CCl)Oc2ccc(C)cc2
)cc1 - Molecular Weight1
- 310.71
- CAS
- 23896-95-9
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7085 | Relay (1.0) Calculated Property | |
| ΔfG° | -141.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -461.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.151 | Crippen Calculated Property | |
| McVol | 225.000 | ml/mol | McGowan Calculated Property |
| Pc | 2009.44 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 652.63 | K | Relay (1.0) Calculated Property |
| Tc | 893.90 | K | Relay (1.0) Calculated Property |
| Tfus | 347.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.814 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonic acid, chloromethyl-, bis(p-tolyl) ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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