- InChI
- InChI=1S/C22H34O4/c1-3-5-6-7-12-18-25-21(23)16-10-11-17-22(24)26-20-15-9-8-14-19(20)13-4-2/h8-9,14-15H,3-7,10-13,16-18H2,1-2H3
- InChI Key
- FCCMOLGNGJLATR-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCCOC(=O)CCCCC(=O)Oc1ccccc
1CCC - Molecular Weight1
- 362.50
- 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 | 1.0584 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.619 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1171.22 | kPa | Joback Calculated Property |
| Inp | 2569.00 | NIST | |
| Tboil | 646.13 | K | Relay (1.0) Calculated Property |
| Tc | 843.84 | K | Relay (1.0) Calculated Property |
| Tfus | 281.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.173 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.29; 1078.77] | J/mol×K | [887.00; 1090.20] | 
|
| Cp,gas | 997.29 | J/mol×K | 887.00 | Joback Calculated Property |
| Cp,gas | 1013.85 | J/mol×K | 920.87 | Joback Calculated Property |
| Cp,gas | 1029.18 | J/mol×K | 954.73 | Joback Calculated Property |
| Cp,gas | 1043.31 | J/mol×K | 988.60 | Joback Calculated Property |
| Cp,gas | 1056.27 | J/mol×K | 1022.47 | Joback Calculated Property |
| Cp,gas | 1068.08 | J/mol×K | 1056.33 | Joback Calculated Property |
| Cp,gas | 1078.77 | J/mol×K | 1090.20 | Joback Calculated Property |
| η | [0.0000413; 0.0004813] | Pa×s | [520.96; 887.00] |
|
| η | 0.0004813 | Pa×s | 520.96 | Joback Calculated Property |
| η | 0.0002579 | Pa×s | 581.97 | Joback Calculated Property |
| η | 0.0001556 | Pa×s | 642.97 | Joback Calculated Property |
| η | 0.0001024 | Pa×s | 703.98 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 764.99 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 825.99 | Joback Calculated Property |
| η | 0.0000413 | Pa×s | 887.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, heptyl 2-propylphenyl ester.
Sources
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