- InChI
- InChI=1S/C16H30O4/c1-5-7-9-11-13(3)19-15(17)16(18)20-14(4)12-10-8-6-2/h13-14H,5-12H2,1-4H3
- InChI Key
- XZANOWYEBPWTEU-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
- CCCCCC(C)OC(=O)C(=O)OC(C)CCCCC
- Molecular Weight1
- 286.41
- 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 | 0.8655 | Relay (1.0) Calculated Property | |
| ΔfG° | -541.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -981.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.010 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1343.73 | kPa | Joback Calculated Property |
| Inp | 1737.00 | NIST | |
| Tboil | 556.02 | K | Relay (1.0) Calculated Property |
| Tc | 721.39 | K | Relay (1.0) Calculated Property |
| Tfus | 246.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.968 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.47; 810.42] | J/mol×K | [681.24; 856.35] | 
|
| Cp,gas | 719.47 | J/mol×K | 681.24 | Joback Calculated Property |
| Cp,gas | 736.85 | J/mol×K | 710.42 | Joback Calculated Property |
| Cp,gas | 753.32 | J/mol×K | 739.61 | Joback Calculated Property |
| Cp,gas | 768.91 | J/mol×K | 768.79 | Joback Calculated Property |
| Cp,gas | 783.61 | J/mol×K | 797.98 | Joback Calculated Property |
| Cp,gas | 797.45 | J/mol×K | 827.16 | Joback Calculated Property |
| Cp,gas | 810.42 | J/mol×K | 856.35 | Joback Calculated Property |
| η | [0.0000645; 0.0047853] | Pa×s | [324.74; 681.24] |
|
| η | 0.0047853 | Pa×s | 324.74 | Joback Calculated Property |
| η | 0.0013403 | Pa×s | 384.16 | Joback Calculated Property |
| η | 0.0005279 | Pa×s | 443.57 | Joback Calculated Property |
| η | 0.0002591 | Pa×s | 502.99 | Joback Calculated Property |
| η | 0.0001478 | Pa×s | 562.41 | Joback Calculated Property |
| η | 0.0000939 | Pa×s | 621.82 | Joback Calculated Property |
| η | 0.0000645 | Pa×s | 681.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to di-(1-Methylhexyl)oxalate.
Sources
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