- InChI
- InChI=1S/C17H20O5/c1-4-7-13(5-2)21-16(18)10-11-17(19)22-15-9-6-8-14(12-15)20-3/h6,8-9,12-13H,5,10-11H2,1-3H3
- InChI Key
- SXQSFMIWZUHTOM-UHFFFAOYSA-N
- Formula
- C17H20O5
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)Oc1cccc(
OC)c1 - Molecular Weight1
- 304.34
- 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 | 0.7602 | Relay (1.0) Calculated Property | |
| ΔfG° | -177.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.726 | Crippen Calculated Property | |
| McVol | 238.780 | ml/mol | McGowan Calculated Property |
| Pc | 1905.24 | kPa | Joback Calculated Property |
| Inp | [2283.00; 2283.00] |
|
|
| Inp | 2283.00 | NIST | |
| Inp | 2283.00 | NIST | |
| Tboil | 617.17 | K | Relay (1.0) Calculated Property |
| Tc | 826.06 | K | Relay (1.0) Calculated Property |
| Tfus | 329.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.845 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [683.16; 752.94] | J/mol×K | [803.58; 1022.27] |
|
| Cp,gas | 683.16 | J/mol×K | 803.58 | Joback Calculated Property |
| Cp,gas | 697.70 | J/mol×K | 840.03 | Joback Calculated Property |
| Cp,gas | 711.09 | J/mol×K | 876.48 | Joback Calculated Property |
| Cp,gas | 723.31 | J/mol×K | 912.92 | Joback Calculated Property |
| Cp,gas | 734.36 | J/mol×K | 949.37 | Joback Calculated Property |
| Cp,gas | 744.24 | J/mol×K | 985.82 | Joback Calculated Property |
| Cp,gas | 752.94 | J/mol×K | 1022.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 3-methoxyphenyl ester.
Sources
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