- InChI
- InChI=1S/C26H34O4/c1-2-3-4-5-6-7-11-19-29-25(27)23-17-12-18-24(21-23)26(28)30-20-13-16-22-14-9-8-10-15-22/h8-10,12,14-15,17-18,21H,2-7,11,13,16,19-20H2,1H3
- InChI Key
- YXZZKKPQVNFBEC-UHFFFAOYSA-N
- Formula
- C26H34O4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)OCC
Cc2ccccc2)c1 - Molecular Weight1
- 410.55
- 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 | 1.1389 | Relay (1.0) Calculated Property | |
| ΔfG° | -237.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -726.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.384 | Crippen Calculated Property | |
| McVol | 344.560 | ml/mol | McGowan Calculated Property |
| Pc | 1070.06 | kPa | Joback Calculated Property |
| Inp | [3322.00; 3322.00] |
|
|
| Inp | 3322.00 | NIST | |
| Inp | 3322.00 | NIST | |
| Tboil | 711.75 | K | Relay (1.0) Calculated Property |
| Tc | 938.19 | K | Relay (1.0) Calculated Property |
| Tfus | 297.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.291 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1124.48; 1190.71] | J/mol×K | [969.26; 1189.95] |
|
| Cp,gas | 1124.48 | J/mol×K | 969.26 | Joback Calculated Property |
| Cp,gas | 1139.12 | J/mol×K | 1006.04 | Joback Calculated Property |
| Cp,gas | 1152.23 | J/mol×K | 1042.82 | Joback Calculated Property |
| Cp,gas | 1163.88 | J/mol×K | 1079.60 | Joback Calculated Property |
| Cp,gas | 1174.14 | J/mol×K | 1116.38 | Joback Calculated Property |
| Cp,gas | 1183.06 | J/mol×K | 1153.17 | Joback Calculated Property |
| Cp,gas | 1190.71 | J/mol×K | 1189.95 | Joback Calculated Property |
| η | [0.0000177; 0.0003574] | Pa×s | [532.80; 969.26] |
|
| η | 0.0003574 | Pa×s | 532.80 | Joback Calculated Property |
| η | 0.0001604 | Pa×s | 605.54 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 678.29 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 751.03 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 823.77 | Joback Calculated Property |
| η | 0.0000239 | Pa×s | 896.52 | Joback Calculated Property |
| η | 0.0000177 | Pa×s | 969.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, nonyl 3-phenylpropyl ester.
Sources
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