- InChI
- InChI=1S/C22H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-26-21(23)15-16-22(24)27-19-20-14-13-18-25-20/h20H,2-10,13-19H2,1H3
- InChI Key
- QXYAPINBCKZTRJ-UHFFFAOYSA-N
- Formula
- C22H36O5
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCC(=O)OCC
1CCCO1 - Molecular Weight1
- 380.52
- 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 | 0.9633 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.566 | Crippen Calculated Property | |
| McVol | 322.130 | ml/mol | McGowan Calculated Property |
| Pc | 1183.34 | kPa | Joback Calculated Property |
| Inp | 3011.00 | NIST | |
| Tboil | 654.54 | K | Relay (1.0) Calculated Property |
| Tc | 850.80 | K | Relay (1.0) Calculated Property |
| Tfus | 288.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.200 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1067.17; 1152.10] | J/mol×K | [906.57; 1114.34] | 
|
| Cp,gas | 1067.17 | J/mol×K | 906.57 | Joback Calculated Property |
| Cp,gas | 1084.57 | J/mol×K | 941.20 | Joback Calculated Property |
| Cp,gas | 1100.63 | J/mol×K | 975.83 | Joback Calculated Property |
| Cp,gas | 1115.38 | J/mol×K | 1010.46 | Joback Calculated Property |
| Cp,gas | 1128.85 | J/mol×K | 1045.09 | Joback Calculated Property |
| Cp,gas | 1141.08 | J/mol×K | 1079.72 | Joback Calculated Property |
| Cp,gas | 1152.10 | J/mol×K | 1114.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, tridec-2-yn-1-yl tetrahydrofurfuryl ester.
Sources
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