- InChI
- InChI=1S/C10H18O4/c1-8(7-10(12)14-3)5-4-6-9(11)13-2/h8H,4-7H2,1-3H3
- InChI Key
- HJRDWNWLAOQATD-UHFFFAOYSA-N
- Formula
- C10H18O4
- SMILES
- COC(=O)CCCC(C)CC(=O)OC
- Molecular Weight1
- 202.25
- CAS
- 54576-14-6
- Other Names
-
- Dimethyl 3-methylheptane-1,7-dioate
- 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 | 0.6370 | Relay (1.0) Calculated Property | |
| ΔfG° | -436.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.529 | Crippen Calculated Property | |
| McVol | 166.640 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Inp | 1351.00 | NIST | |
| Tboil | 499.29 | K | Relay (1.0) Calculated Property |
| Tc | 679.20 | K | Relay (1.0) Calculated Property |
| Tfus | 240.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.610 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.07; 488.46] | J/mol×K | [580.34; 763.73] | 
|
| Cp,gas | 416.07 | J/mol×K | 580.34 | Joback Calculated Property |
| Cp,gas | 429.55 | J/mol×K | 610.90 | Joback Calculated Property |
| Cp,gas | 442.48 | J/mol×K | 641.47 | Joback Calculated Property |
| Cp,gas | 454.83 | J/mol×K | 672.03 | Joback Calculated Property |
| Cp,gas | 466.62 | J/mol×K | 702.60 | Joback Calculated Property |
| Cp,gas | 477.83 | J/mol×K | 733.16 | Joback Calculated Property |
| Cp,gas | 488.46 | J/mol×K | 763.73 | Joback Calculated Property |
| η | [0.0001771; 0.0024229] | Pa×s | [331.78; 580.34] |
|
| η | 0.0024229 | Pa×s | 331.78 | Joback Calculated Property |
| η | 0.0012300 | Pa×s | 373.21 | Joback Calculated Property |
| η | 0.0007150 | Pa×s | 414.63 | Joback Calculated Property |
| η | 0.0004587 | Pa×s | 456.06 | Joback Calculated Property |
| η | 0.0003168 | Pa×s | 497.49 | Joback Calculated Property |
| η | 0.0002316 | Pa×s | 538.91 | Joback Calculated Property |
| η | 0.0001771 | Pa×s | 580.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanedioic acid, 3-methyl-, dimethyl ester.
Sources
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