- InChI
- InChI=1S/C20H33ClO4/c1-3-13-18(4-2)25-20(23)15-14-19(22)24-17-12-10-8-6-5-7-9-11-16-21/h18H,4-12,14-17H2,1-2H3
- InChI Key
- LJBRGRWKKUFSLJ-UHFFFAOYSA-N
- Formula
- C20H33ClO4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)OCCCCCCC
CCCCl - Molecular Weight1
- 372.93
- ω : Acentric Factor.
- 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).
- 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 | 0.9323 | Relay (1.0) Calculated Property | |
| ΔfG° | -161.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.014 | Crippen Calculated Property | |
| McVol | 311.180 | ml/mol | McGowan Calculated Property |
| Pc | 1176.85 | kPa | Joback Calculated Property |
| Inp | [2624.00; 2624.00] |
|
|
| Inp | 2624.00 | NIST | |
| Inp | 2624.00 | NIST | |
| Tboil | 615.55 | K | Relay (1.0) Calculated Property |
| Tc | 821.59 | K | Relay (1.0) Calculated Property |
| Tfus | 315.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.130 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [950.00; 1032.38] | J/mol×K | [855.57; 1053.44] |
|
| Cp,gas | 950.00 | J/mol×K | 855.57 | Joback Calculated Property |
| Cp,gas | 966.42 | J/mol×K | 888.55 | Joback Calculated Property |
| Cp,gas | 981.73 | J/mol×K | 921.53 | Joback Calculated Property |
| Cp,gas | 995.97 | J/mol×K | 954.50 | Joback Calculated Property |
| Cp,gas | 1009.15 | J/mol×K | 987.48 | Joback Calculated Property |
| Cp,gas | 1021.28 | J/mol×K | 1020.46 | Joback Calculated Property |
| Cp,gas | 1032.38 | J/mol×K | 1053.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 10-chlorodecyl ester.
Sources
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