- InChI
- InChI=1S/C15H19IO4/c1-11(2)9-19-14(17)6-7-15(18)20-10-12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3
- InChI Key
- FOVZNGCBELPMJV-UHFFFAOYSA-N
- Formula
- C15H19IO4
- SMILES
-
CC(C)COC(=O)CCC(=O)OCc1cccc(I)
c1 - Molecular Weight1
- 390.21
- 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 | 0.7415 | Relay (1.0) Calculated Property | |
| ΔfG° | -233.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.314 | Crippen Calculated Property | |
| McVol | 239.150 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | [2300.00; 2300.00] |
|
|
| Inp | 2300.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Tboil | 639.11 | K | Relay (1.0) Calculated Property |
| Tc | 841.74 | K | Relay (1.0) Calculated Property |
| Tfus | 299.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.848 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [643.48; 706.37] | J/mol×K | [819.54; 1046.98] |
|
| Cp,gas | 643.48 | J/mol×K | 819.54 | Joback Calculated Property |
| Cp,gas | 656.58 | J/mol×K | 857.45 | Joback Calculated Property |
| Cp,gas | 668.60 | J/mol×K | 895.35 | Joback Calculated Property |
| Cp,gas | 679.56 | J/mol×K | 933.26 | Joback Calculated Property |
| Cp,gas | 689.49 | J/mol×K | 971.17 | Joback Calculated Property |
| Cp,gas | 698.42 | J/mol×K | 1009.07 | Joback Calculated Property |
| Cp,gas | 706.37 | J/mol×K | 1046.98 | Joback Calculated Property |
| η | [0.0000746; 0.0008096] | Pa×s | [485.13; 819.54] |
|
| η | 0.0008096 | Pa×s | 485.13 | Joback Calculated Property |
| η | 0.0004434 | Pa×s | 540.87 | Joback Calculated Property |
| η | 0.0002717 | Pa×s | 596.60 | Joback Calculated Property |
| η | 0.0001811 | Pa×s | 652.34 | Joback Calculated Property |
| η | 0.0001286 | Pa×s | 708.07 | Joback Calculated Property |
| η | 0.0000960 | Pa×s | 763.80 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 819.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-iodobenzyl isobutyl ester.
Sources
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