- InChI
- InChI=1S/C23H30O4/c1-2-3-4-10-17-26-22(24)13-6-5-7-14-23(25)27-21-16-15-19-11-8-9-12-20(19)18-21/h8-9,11-12,15-16,18H,2-7,10,13-14,17H2,1H3
- InChI Key
- NDEADIRDUBEQSX-UHFFFAOYSA-N
- Formula
- C23H30O4
- SMILES
-
CCCCCCOC(=O)CCCCCC(=O)Oc1ccc2c
cccc2c1 - Molecular Weight1
- 370.48
- 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 | 1.0554 | Relay (1.0) Calculated Property | |
| ΔfG° | -115.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.819 | Crippen Calculated Property | |
| McVol | 306.590 | ml/mol | McGowan Calculated Property |
| Pc | 1300.47 | kPa | Joback Calculated Property |
| Inp | [2987.00; 2987.00] |
|
|
| Inp | 2987.00 | NIST | |
| Inp | 2987.00 | NIST | |
| Tboil | 699.06 | K | Relay (1.0) Calculated Property |
| Tc | 929.03 | K | Relay (1.0) Calculated Property |
| Tfus | 334.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.143 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [979.65; 1054.71] | J/mol×K | [928.86; 1143.95] |
|
| Cp,gas | 979.65 | J/mol×K | 928.86 | Joback Calculated Property |
| Cp,gas | 994.80 | J/mol×K | 964.71 | Joback Calculated Property |
| Cp,gas | 1008.82 | J/mol×K | 1000.56 | Joback Calculated Property |
| Cp,gas | 1021.76 | J/mol×K | 1036.41 | Joback Calculated Property |
| Cp,gas | 1033.68 | J/mol×K | 1072.25 | Joback Calculated Property |
| Cp,gas | 1044.64 | J/mol×K | 1108.10 | Joback Calculated Property |
| Cp,gas | 1054.71 | J/mol×K | 1143.95 | Joback Calculated Property |
| η | [0.0000729; 0.0005434] | Pa×s | [564.93; 928.86] |
|
| η | 0.0005434 | Pa×s | 564.93 | Joback Calculated Property |
| η | 0.0003305 | Pa×s | 625.59 | Joback Calculated Property |
| η | 0.0002195 | Pa×s | 686.24 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 746.89 | Joback Calculated Property |
| η | 0.0001164 | Pa×s | 807.55 | Joback Calculated Property |
| η | 0.0000906 | Pa×s | 868.20 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 928.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexyl 2-naphthyl ester.
Sources
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