- InChI
- InChI=1S/C27H28O4/c1-2-3-4-5-11-19-30-26(28)22-15-12-16-23(20-22)27(29)31-25-18-10-9-17-24(25)21-13-7-6-8-14-21/h6-10,12-18,20H,2-5,11,19H2,1H3
- InChI Key
- LLCQZYUIVMHZKE-UHFFFAOYSA-N
- Formula
- C27H28O4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)Oc2cc
ccc2-c2ccccc2)c1 - Molecular Weight1
- 416.51
- 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 | 1.0611 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.700 | Crippen Calculated Property | |
| McVol | 334.890 | ml/mol | McGowan Calculated Property |
| Pc | 1317.52 | kPa | Joback Calculated Property |
| Inp | 3322.00 | NIST | |
| Tboil | 737.37 | K | Relay (1.0) Calculated Property |
| Tc | 1020.40 | K | Relay (1.0) Calculated Property |
| Tfus | 331.94 | K | Relay (1.0) Calculated Property |
| Vc | 1.225 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1085.84; 1135.59] | J/mol×K | [1059.74; 1304.65] | 
|
| Cp,gas | 1085.84 | J/mol×K | 1059.74 | Joback Calculated Property |
| Cp,gas | 1097.63 | J/mol×K | 1100.56 | Joback Calculated Property |
| Cp,gas | 1107.91 | J/mol×K | 1141.38 | Joback Calculated Property |
| Cp,gas | 1116.76 | J/mol×K | 1182.20 | Joback Calculated Property |
| Cp,gas | 1124.27 | J/mol×K | 1223.02 | Joback Calculated Property |
| Cp,gas | 1130.51 | J/mol×K | 1263.83 | Joback Calculated Property |
| Cp,gas | 1135.59 | J/mol×K | 1304.65 | Joback Calculated Property |
| η | [0.0000217; 0.0001956] | Pa×s | [642.67; 1059.74] |
|
| η | 0.0001956 | Pa×s | 642.67 | Joback Calculated Property |
| η | 0.0001134 | Pa×s | 712.18 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 781.69 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 851.21 | Joback Calculated Property |
| η | 0.0000362 | Pa×s | 920.72 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 990.23 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 1059.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-biphenyl heptyl ester.
Sources
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