- InChI
- InChI=1S/C17H32O4/c1-5-20-15(18)12-10-8-6-7-9-11-13-16(19)21-14-17(2,3)4/h5-14H2,1-4H3
- InChI Key
- QNAQLOXJOBIYIF-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)OCC(C)(C)
C - Molecular Weight1
- 300.43
- 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 | 0.8779 | Relay (1.0) Calculated Property | |
| ΔfG° | -525.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1037.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.260 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1256.59 | kPa | Joback Calculated Property |
| Inp | 2019.00 | NIST | |
| Tboil | 582.60 | K | Relay (1.0) Calculated Property |
| Tc | 750.84 | K | Relay (1.0) Calculated Property |
| Tfus | 292.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.027 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [777.50; 869.17] | J/mol×K | [701.77; 878.53] | 
|
| Cp,gas | 777.50 | J/mol×K | 701.77 | Joback Calculated Property |
| Cp,gas | 795.12 | J/mol×K | 731.23 | Joback Calculated Property |
| Cp,gas | 811.77 | J/mol×K | 760.69 | Joback Calculated Property |
| Cp,gas | 827.48 | J/mol×K | 790.15 | Joback Calculated Property |
| Cp,gas | 842.27 | J/mol×K | 819.61 | Joback Calculated Property |
| Cp,gas | 856.16 | J/mol×K | 849.07 | Joback Calculated Property |
| Cp,gas | 869.17 | J/mol×K | 878.53 | Joback Calculated Property |
| η | [0.0000548; 0.0024007] | Pa×s | [368.43; 701.77] |
|
| η | 0.0024007 | Pa×s | 368.43 | Joback Calculated Property |
| η | 0.0008464 | Pa×s | 423.99 | Joback Calculated Property |
| η | 0.0003800 | Pa×s | 479.54 | Joback Calculated Property |
| η | 0.0002014 | Pa×s | 535.10 | Joback Calculated Property |
| η | 0.0001203 | Pa×s | 590.66 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 646.21 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 701.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, ethyl neopentyl ester.
Sources
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