- InChI
- InChI=1S/C16H22O4/c1-3-4-10-19-15(17)8-9-16(18)20-12-14-7-5-6-13(2)11-14/h5-7,11H,3-4,8-10,12H2,1-2H3
- InChI Key
- OIYVHXRJPIPRRC-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
- CCCCOC(=O)CCC(=O)OCc1cccc(C)c1
- Molecular Weight1
- 278.35
- 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 | 0.8009 | Relay (1.0) Calculated Property | |
| ΔfG° | -434.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.162 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1696.30 | kPa | Joback Calculated Property |
| Inp | [2034.00; 2034.00] |
|
|
| Inp | 2034.00 | NIST | |
| Inp | 2034.00 | NIST | |
| Tboil | 602.14 | K | Relay (1.0) Calculated Property |
| Tc | 795.73 | K | Relay (1.0) Calculated Property |
| Tfus | 254.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.853 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [637.41; 715.71] | J/mol×K | [713.78; 911.36] |
|
| Cp,gas | 637.41 | J/mol×K | 713.78 | Joback Calculated Property |
| Cp,gas | 652.98 | J/mol×K | 746.71 | Joback Calculated Property |
| Cp,gas | 667.53 | J/mol×K | 779.64 | Joback Calculated Property |
| Cp,gas | 681.06 | J/mol×K | 812.57 | Joback Calculated Property |
| Cp,gas | 693.59 | J/mol×K | 845.50 | Joback Calculated Property |
| Cp,gas | 705.14 | J/mol×K | 878.43 | Joback Calculated Property |
| Cp,gas | 715.71 | J/mol×K | 911.36 | Joback Calculated Property |
| η | [0.0000742; 0.0014002] | Pa×s | [393.68; 713.78] |
|
| η | 0.0014002 | Pa×s | 393.68 | Joback Calculated Property |
| η | 0.0006408 | Pa×s | 447.03 | Joback Calculated Property |
| η | 0.0003464 | Pa×s | 500.38 | Joback Calculated Property |
| η | 0.0002109 | Pa×s | 553.73 | Joback Calculated Property |
| η | 0.0001400 | Pa×s | 607.08 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 660.43 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 713.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, butyl 3-methylbenzyl ester.
Sources
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