- InChI
- InChI=1S/C20H30O4/c1-4-6-7-8-9-10-11-12-13-14-17-23-19(21)15-16-20(22)24-18(3)5-2/h2,18H,4,8-17H2,1,3H3
- InChI Key
- LPIYQZYMNORFCL-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
C#CC(C)OC(=O)CCC(=O)OCCCCCCCCC
#CCC - Molecular Weight1
- 334.45
- 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 | 0.8097 | Relay (1.0) Calculated Property | |
| ΔfG° | 73.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -595.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.019 | Crippen Calculated Property | |
| McVol | 290.340 | ml/mol | McGowan Calculated Property |
| Pc | 1341.76 | kPa | Joback Calculated Property |
| Inp | [2333.00; 2333.00] |
|
|
| Inp | 2333.00 | NIST | |
| Inp | 2333.00 | NIST | |
| Tboil | 598.98 | K | Relay (1.0) Calculated Property |
| Tc | 797.53 | K | Relay (1.0) Calculated Property |
| Tfus | 316.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.044 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [864.93; 949.61] | J/mol×K | [808.26; 1004.89] |
|
| Cp,gas | 864.93 | J/mol×K | 808.26 | Joback Calculated Property |
| Cp,gas | 881.50 | J/mol×K | 841.03 | Joback Calculated Property |
| Cp,gas | 897.06 | J/mol×K | 873.80 | Joback Calculated Property |
| Cp,gas | 911.63 | J/mol×K | 906.57 | Joback Calculated Property |
| Cp,gas | 925.23 | J/mol×K | 939.34 | Joback Calculated Property |
| Cp,gas | 937.88 | J/mol×K | 972.12 | Joback Calculated Property |
| Cp,gas | 949.61 | J/mol×K | 1004.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, but-3-yn-2-yl dodec-9-yn-1-yl ester.
Sources
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