- InChI
- InChI=1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)
- InChI Key
- OSYQOBUUFRGFNG-UHFFFAOYSA-N
- Formula
- C11H20O4
- SMILES
- COC(=O)CCCCCCCCC(=O)O
- Molecular Weight1
- 216.28
- Other Names
-
- Mono-methyl sebacate
- Decanedioic acid, monomethyl ester
- Methyl hydrogen sebacate
- 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 | 0.9123 | Relay (1.0) Calculated Property | |
| ΔfG° | -612.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -908.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.365 | Crippen Calculated Property | |
| McVol | 180.730 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | [1683.00; 1683.00] |
|
|
| Inp | 1683.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Tboil | 567.05 | K | Relay (1.0) Calculated Property |
| Tc | 757.53 | K | Relay (1.0) Calculated Property |
| Tfus | 315.90 ± 1.00 | K | NIST |
| Vc | 0.697 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.64; 564.02] | J/mol×K | [655.01; 839.00] |
|
| Cp,gas | 495.64 | J/mol×K | 655.01 | Joback Calculated Property |
| Cp,gas | 508.71 | J/mol×K | 685.67 | Joback Calculated Property |
| Cp,gas | 521.08 | J/mol×K | 716.34 | Joback Calculated Property |
| Cp,gas | 532.79 | J/mol×K | 747.00 | Joback Calculated Property |
| Cp,gas | 543.84 | J/mol×K | 777.67 | Joback Calculated Property |
| Cp,gas | 554.24 | J/mol×K | 808.33 | Joback Calculated Property |
| Cp,gas | 564.02 | J/mol×K | 839.00 | Joback Calculated Property |
| η | [0.0001425; 0.0012701] | Pa×s | [416.66; 655.01] |
|
| η | 0.0012701 | Pa×s | 416.66 | Joback Calculated Property |
| η | 0.0007526 | Pa×s | 456.38 | Joback Calculated Property |
| η | 0.0004850 | Pa×s | 496.11 | Joback Calculated Property |
| η | 0.0003335 | Pa×s | 535.84 | Joback Calculated Property |
| η | 0.0002416 | Pa×s | 575.56 | Joback Calculated Property |
| η | 0.0001824 | Pa×s | 615.28 | Joback Calculated Property |
| η | 0.0001425 | Pa×s | 655.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to METHYL HYDROGEN SEBACATE.
Sources
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