- InChI
- InChI=1S/C25H32O4/c1-4-5-6-7-8-9-10-16-28-24(26)21-12-11-13-22(18-21)25(27)29-23-15-14-19(2)20(3)17-23/h11-15,17-18H,4-10,16H2,1-3H3
- InChI Key
- RVYVSQCUFUYASD-UHFFFAOYSA-N
- Formula
- C25H32O4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)Oc2
ccc(C)c(C)c2)c1 - Molecular Weight1
- 396.52
- 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 | 1.1185 | Relay (1.0) Calculated Property | |
| ΔfG° | -112.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.430 | Crippen Calculated Property | |
| McVol | 330.470 | ml/mol | McGowan Calculated Property |
| Pc | 1181.71 | kPa | Joback Calculated Property |
| Inp | [3213.00; 3213.00] |
|
|
| Inp | 3213.00 | NIST | |
| Inp | 3213.00 | NIST | |
| Tboil | 692.54 | K | Relay (1.0) Calculated Property |
| Tc | 943.47 | K | Relay (1.0) Calculated Property |
| Tfus | 321.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.229 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1074.93; 1138.88] | J/mol×K | [992.28; 1218.63] |
|
| Cp,gas | 1074.93 | J/mol×K | 992.28 | Joback Calculated Property |
| Cp,gas | 1089.16 | J/mol×K | 1030.01 | Joback Calculated Property |
| Cp,gas | 1101.89 | J/mol×K | 1067.73 | Joback Calculated Property |
| Cp,gas | 1113.19 | J/mol×K | 1105.46 | Joback Calculated Property |
| Cp,gas | 1123.09 | J/mol×K | 1143.18 | Joback Calculated Property |
| Cp,gas | 1131.64 | J/mol×K | 1180.91 | Joback Calculated Property |
| Cp,gas | 1138.88 | J/mol×K | 1218.63 | Joback Calculated Property |
| η | [0.0000288; 0.0002418] | Pa×s | [606.23; 992.28] |
|
| η | 0.0002418 | Pa×s | 606.23 | Joback Calculated Property |
| η | 0.0001431 | Pa×s | 670.57 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 734.91 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 799.25 | Joback Calculated Property |
| η | 0.0000474 | Pa×s | 863.60 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 927.94 | Joback Calculated Property |
| η | 0.0000288 | Pa×s | 992.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,4-dimethylphenyl nonyl ester.
Sources
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