- InChI
- InChI=1S/C14H15ClO8/c1-6-7(10(16)20-2)8(11(17)21-3)9(12(18)22-4)14(6,15)13(19)23-5/h1-5H3
- InChI Key
- KOFUVUOBYYWHSF-UHFFFAOYSA-N
- Formula
- C14H15ClO8
- SMILES
-
COC(=O)C1=C(C)C(Cl)(C(=O)OC)C(
C(=O)OC)=C1C(=O)OC - Molecular Weight1
- 346.72
- CAS
- 93251-34-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | -828.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1181.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.11 | kJ/mol | Joback Calculated Property |
| log10WS | -1.00 | Crippen Calculated Property | |
| logPoct/wat | 0.283 | Crippen Calculated Property | |
| McVol | 230.660 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Tboil | 896.07 | K | Joback Calculated Property |
| Tc | 1117.03 | K | Joback Calculated Property |
| Tfus | 652.50 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [662.54; 729.71] | J/mol×K | [896.07; 1117.03] | 
|
| Cp,gas | 662.54 | J/mol×K | 896.07 | Joback Calculated Property |
| Cp,gas | 674.74 | J/mol×K | 932.90 | Joback Calculated Property |
| Cp,gas | 686.48 | J/mol×K | 969.72 | Joback Calculated Property |
| Cp,gas | 697.79 | J/mol×K | 1006.55 | Joback Calculated Property |
| Cp,gas | 708.74 | J/mol×K | 1043.38 | Joback Calculated Property |
| Cp,gas | 719.37 | J/mol×K | 1080.20 | Joback Calculated Property |
| Cp,gas | 729.71 | J/mol×K | 1117.03 | Joback Calculated Property |
Similar Compounds
![1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, 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)
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