- InChI
- InChI=1S/C21H32O4/c1-4-7-9-10-15-24-20(22)17-12-11-13-18(16-17)21(23)25-19(6-3)14-8-5-2/h11-13,16,19H,4-10,14-15H2,1-3H3
- InChI Key
- MZYXISKVPDPMJI-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OC(CC)
CCCC)c1 - Molecular Weight1
- 348.48
- 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 | 1.0015 | Relay (1.0) Calculated Property | |
| ΔfG° | -241.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.549 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1259.27 | kPa | Joback Calculated Property |
| Inp | 2424.00 | NIST | |
| Tboil | 640.28 | K | Relay (1.0) Calculated Property |
| Tc | 837.85 | K | Relay (1.0) Calculated Property |
| Tfus | 264.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.109 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.65; 1018.76] | J/mol×K | [863.68; 1066.32] | 
|
| Cp,gas | 937.65 | J/mol×K | 863.68 | Joback Calculated Property |
| Cp,gas | 954.09 | J/mol×K | 897.45 | Joback Calculated Property |
| Cp,gas | 969.33 | J/mol×K | 931.23 | Joback Calculated Property |
| Cp,gas | 983.39 | J/mol×K | 965.00 | Joback Calculated Property |
| Cp,gas | 996.30 | J/mol×K | 998.77 | Joback Calculated Property |
| Cp,gas | 1008.08 | J/mol×K | 1032.54 | Joback Calculated Property |
| Cp,gas | 1018.76 | J/mol×K | 1066.32 | Joback Calculated Property |
| η | [0.0000436; 0.0006043] | Pa×s | [494.69; 863.68] |
|
| η | 0.0006043 | Pa×s | 494.69 | Joback Calculated Property |
| η | 0.0003060 | Pa×s | 556.19 | Joback Calculated Property |
| η | 0.0001775 | Pa×s | 617.69 | Joback Calculated Property |
| η | 0.0001136 | Pa×s | 679.18 | Joback Calculated Property |
| η | 0.0000783 | Pa×s | 740.68 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 802.18 | Joback Calculated Property |
| η | 0.0000436 | Pa×s | 863.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hept-3-yl hexyl ester.
Sources
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