- InChI
- InChI=1S/C21H26O4/c1-16(2)15-24-20(22)10-4-3-5-11-21(23)25-19-13-12-17-8-6-7-9-18(17)14-19/h6-9,12-14,16H,3-5,10-11,15H2,1-2H3
- InChI Key
- ITQMFUWYVHXOOR-UHFFFAOYSA-N
- Formula
- C21H26O4
- SMILES
-
CC(C)COC(=O)CCCCCC(=O)Oc1ccc2c
cccc2c1 - Molecular Weight1
- 342.43
- 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 | 0.9412 | Relay (1.0) Calculated Property | |
| ΔfG° | -134.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.895 | Crippen Calculated Property | |
| McVol | 278.410 | ml/mol | McGowan Calculated Property |
| Pc | 1510.50 | kPa | Joback Calculated Property |
| Inp | 2735.00 | NIST | |
| Tboil | 685.29 | K | Relay (1.0) Calculated Property |
| Tc | 913.55 | K | Relay (1.0) Calculated Property |
| Tfus | 351.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.032 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [861.57; 934.88] | J/mol×K | [882.66; 1098.28] | 
|
| Cp,gas | 861.57 | J/mol×K | 882.66 | Joback Calculated Property |
| Cp,gas | 876.41 | J/mol×K | 918.60 | Joback Calculated Property |
| Cp,gas | 890.13 | J/mol×K | 954.53 | Joback Calculated Property |
| Cp,gas | 902.78 | J/mol×K | 990.47 | Joback Calculated Property |
| Cp,gas | 914.42 | J/mol×K | 1026.41 | Joback Calculated Property |
| Cp,gas | 925.10 | J/mol×K | 1062.35 | Joback Calculated Property |
| Cp,gas | 934.88 | J/mol×K | 1098.28 | Joback Calculated Property |
| η | [0.0000871; 0.0007083] | Pa×s | [527.39; 882.66] |
|
| η | 0.0007083 | Pa×s | 527.39 | Joback Calculated Property |
| η | 0.0004187 | Pa×s | 586.60 | Joback Calculated Property |
| η | 0.0002725 | Pa×s | 645.81 | Joback Calculated Property |
| η | 0.0001907 | Pa×s | 705.03 | Joback Calculated Property |
| η | 0.0001410 | Pa×s | 764.24 | Joback Calculated Property |
| η | 0.0001089 | Pa×s | 823.45 | Joback Calculated Property |
| η | 0.0000871 | Pa×s | 882.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, isobutyl 2-naphthyl ester.
Sources
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