- InChI
- InChI=1S/C18H24O5/c1-3-12-22-17(19)15-6-4-5-7-16(15)18(20)23-14-10-8-13(21-2)9-11-14/h8-11,15-16H,3-7,12H2,1-2H3
- InChI Key
- RLPBBLYCLFJANK-UHFFFAOYSA-N
- Formula
- C18H24O5
- SMILES
-
CCCOC(=O)C1CCCCC1C(=O)Oc1ccc(O
C)cc1 - Molecular Weight1
- 320.38
- 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 | 0.7842 | Relay (1.0) Calculated Property | |
| ΔfG° | -352.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -854.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.360 | Crippen Calculated Property | |
| McVol | 250.610 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | 2415.00 | NIST | |
| Tboil | 646.26 | K | Relay (1.0) Calculated Property |
| Tc | 871.81 | K | Relay (1.0) Calculated Property |
| Tfus | 345.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.40; 865.42] | J/mol×K | [832.78; 1054.40] | 
|
| Cp,gas | 788.40 | J/mol×K | 832.78 | Joback Calculated Property |
| Cp,gas | 805.11 | J/mol×K | 869.72 | Joback Calculated Property |
| Cp,gas | 820.27 | J/mol×K | 906.65 | Joback Calculated Property |
| Cp,gas | 833.88 | J/mol×K | 943.59 | Joback Calculated Property |
| Cp,gas | 845.94 | J/mol×K | 980.53 | Joback Calculated Property |
| Cp,gas | 856.45 | J/mol×K | 1017.47 | Joback Calculated Property |
| Cp,gas | 865.42 | J/mol×K | 1054.40 | Joback Calculated Property |
| η | [0.0000726; 0.0006307] | Pa×s | [501.25; 832.78] |
|
| η | 0.0006307 | Pa×s | 501.25 | Joback Calculated Property |
| η | 0.0003678 | Pa×s | 556.50 | Joback Calculated Property |
| η | 0.0002364 | Pa×s | 611.76 | Joback Calculated Property |
| η | 0.0001635 | Pa×s | 667.01 | Joback Calculated Property |
| η | 0.0001197 | Pa×s | 722.27 | Joback Calculated Property |
| η | 0.0000915 | Pa×s | 777.52 | Joback Calculated Property |
| η | 0.0000726 | Pa×s | 832.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl propyl ester.
Sources
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