- InChI
- InChI=1S/C25H40O4/c1-5-6-7-8-9-10-13-19-28-24(26)22-17-11-12-18-23(22)25(27)29-21(4)16-14-15-20(2)3/h11-12,17-18,20-21H,5-10,13-16,19H2,1-4H3
- InChI Key
- JQHJESVUFUNCLT-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCCCCCCCCOC(=O)c1ccccc1C(=O)OC
(C)CCCC(C)C - Molecular Weight1
- 404.58
- 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 | 1.1060 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -957.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.966 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 980.23 | kPa | Joback Calculated Property |
| Inp | 2712.00 | NIST | |
| Tboil | 657.84 | K | Relay (1.0) Calculated Property |
| Tc | 862.17 | K | Relay (1.0) Calculated Property |
| Tfus | 262.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.324 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1182.11; 1264.13] | J/mol×K | [954.76; 1169.19] | 
|
| Cp,gas | 1182.11 | J/mol×K | 954.76 | Joback Calculated Property |
| Cp,gas | 1199.33 | J/mol×K | 990.50 | Joback Calculated Property |
| Cp,gas | 1215.06 | J/mol×K | 1026.24 | Joback Calculated Property |
| Cp,gas | 1229.37 | J/mol×K | 1061.98 | Joback Calculated Property |
| Cp,gas | 1242.28 | J/mol×K | 1097.71 | Joback Calculated Property |
| Cp,gas | 1253.86 | J/mol×K | 1133.45 | Joback Calculated Property |
| Cp,gas | 1264.13 | J/mol×K | 1169.19 | Joback Calculated Property |
| η | [0.0000220; 0.0004286] | Pa×s | [524.77; 954.76] |
|
| η | 0.0004286 | Pa×s | 524.77 | Joback Calculated Property |
| η | 0.0001941 | Pa×s | 596.43 | Joback Calculated Property |
| η | 0.0001042 | Pa×s | 668.10 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 739.76 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 811.43 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 883.09 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 954.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 6-methylhept-2-yl nonyl ester.
Sources
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