- InChI
- InChI=1S/C18H34O4/c1-4-5-6-10-14-21-17(19)11-8-7-9-12-18(20)22-15-13-16(2)3/h16H,4-15H2,1-3H3
- InChI Key
- VPTVALCLVMQPBH-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
- CCCCCCOC(=O)CCCCCC(=O)OCCC(C)C
- Molecular Weight1
- 314.46
- 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 | 0.9411 | Relay (1.0) Calculated Property | |
| ΔfG° | -522.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1040.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.650 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1166.43 | kPa | Joback Calculated Property |
| Inp | [2135.00; 2135.00] |
|
|
| Inp | 2135.00 | NIST | |
| Inp | 2135.00 | NIST | |
| Tboil | 595.95 | K | Relay (1.0) Calculated Property |
| Tc | 762.93 | K | Relay (1.0) Calculated Property |
| Tfus | 246.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.078 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [833.80; 926.76] | J/mol×K | [727.44; 901.81] |
|
| Cp,gas | 833.80 | J/mol×K | 727.44 | Joback Calculated Property |
| Cp,gas | 851.66 | J/mol×K | 756.50 | Joback Calculated Property |
| Cp,gas | 868.55 | J/mol×K | 785.56 | Joback Calculated Property |
| Cp,gas | 884.49 | J/mol×K | 814.62 | Joback Calculated Property |
| Cp,gas | 899.50 | J/mol×K | 843.69 | Joback Calculated Property |
| Cp,gas | 913.58 | J/mol×K | 872.75 | Joback Calculated Property |
| Cp,gas | 926.76 | J/mol×K | 901.81 | Joback Calculated Property |
| η | [0.0000522; 0.0026059] | Pa×s | [362.28; 727.44] |
|
| η | 0.0026059 | Pa×s | 362.28 | Joback Calculated Property |
| η | 0.0008498 | Pa×s | 423.14 | Joback Calculated Property |
| η | 0.0003673 | Pa×s | 484.00 | Joback Calculated Property |
| η | 0.0001915 | Pa×s | 544.86 | Joback Calculated Property |
| η | 0.0001138 | Pa×s | 605.72 | Joback Calculated Property |
| η | 0.0000744 | Pa×s | 666.58 | Joback Calculated Property |
| η | 0.0000522 | Pa×s | 727.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexyl 3-methylbutyl ester.
Sources
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