- InChI
- InChI=1S/C18H32BrClO4/c19-13-7-3-1-5-9-15-23-17(21)11-12-18(22)24-16-10-6-2-4-8-14-20/h1-16H2
- InChI Key
- FFZKFXKSCIBBAE-UHFFFAOYSA-N
- Formula
- C18H32BrClO4
- SMILES
-
O=C(CCC(=O)OCCCCCCCBr)OCCCCCCC
Cl - Molecular Weight1
- 427.80
- 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 | 1.1030 | Relay (1.0) Calculated Property | |
| ΔfG° | -364.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1035.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.388 | Crippen Calculated Property | |
| McVol | 309.100 | ml/mol | McGowan Calculated Property |
| Pc | 1255.70 | kPa | Joback Calculated Property |
| Inp | 2862.00 | NIST | |
| Tboil | 639.03 | K | Relay (1.0) Calculated Property |
| Tc | 827.76 | K | Relay (1.0) Calculated Property |
| Tfus | 316.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.151 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [925.26; 1001.63] | J/mol×K | [867.41; 1064.80] | 
|
| Cp,gas | 925.26 | J/mol×K | 867.41 | Joback Calculated Property |
| Cp,gas | 940.43 | J/mol×K | 900.31 | Joback Calculated Property |
| Cp,gas | 954.60 | J/mol×K | 933.21 | Joback Calculated Property |
| Cp,gas | 967.78 | J/mol×K | 966.10 | Joback Calculated Property |
| Cp,gas | 979.99 | J/mol×K | 999.00 | Joback Calculated Property |
| Cp,gas | 991.27 | J/mol×K | 1031.90 | Joback Calculated Property |
| Cp,gas | 1001.63 | J/mol×K | 1064.80 | Joback Calculated Property |
| η | [0.0000470; 0.0005110] | Pa×s | [526.66; 867.41] |
|
| η | 0.0005110 | Pa×s | 526.66 | Joback Calculated Property |
| η | 0.0002830 | Pa×s | 583.45 | Joback Calculated Property |
| η | 0.0001740 | Pa×s | 640.24 | Joback Calculated Property |
| η | 0.0001158 | Pa×s | 697.04 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 753.83 | Joback Calculated Property |
| η | 0.0000609 | Pa×s | 810.62 | Joback Calculated Property |
| η | 0.0000470 | Pa×s | 867.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 7-bromoheptyl 7-chloroheptyl ester.
Sources
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