- InChI
- InChI=1S/C16H32O3/c1-7-8-9-18-12-14(3)19-15(17)10-13(2)11-16(4,5)6/h13-14H,7-12H2,1-6H3
- InChI Key
- NOYVLOUNQXVHIM-UHFFFAOYSA-N
- Formula
- C16H32O3
- SMILES
- CCCCOCC(C)OC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 272.42
- 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 | 0.7032 | Relay (... Calculated Property | |
| ΔfG° | -257.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -866.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.98 | kJ/mol | Relay (... Calculated Property |
| IE | 9.54 | eV | Relay (... Calculated Property |
| log10WS | -4.20 | Relay (... Calculated Property | |
| logPoct/wat | 4.197 | Crippen Calculated Property | |
| McVol | 249.610 | ml/mol | McGowan Calculated Property |
| Pc | 1381.96 | kPa | Joback Calculated Property |
| Inp | [1613.00; 1613.00] |
|
|
| Inp | 1613.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Tboil | 526.26 | K | Relay (... Calculated Property |
| Tc | 711.15 | K | Relay (... Calculated Property |
| Tfus | 229.56 | K | Relay (... Calculated Property |
| Vc | 0.916 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.86; 809.04] | J/mol×K | [660.08; 839.01] |
|
| Cp,gas | 709.86 | J/mol×K | 660.08 | Joback Calculated Property |
| Cp,gas | 728.59 | J/mol×K | 689.90 | Joback Calculated Property |
| Cp,gas | 746.42 | J/mol×K | 719.72 | Joback Calculated Property |
| Cp,gas | 763.36 | J/mol×K | 749.54 | Joback Calculated Property |
| Cp,gas | 779.43 | J/mol×K | 779.37 | Joback Calculated Property |
| Cp,gas | 794.64 | J/mol×K | 809.19 | Joback Calculated Property |
| Cp,gas | 809.04 | J/mol×K | 839.01 | Joback Calculated Property |
| η | [0.0000699; 0.0031635] | Pa×s | [336.89; 660.08] |
|
| η | 0.0031635 | Pa×s | 336.89 | Joback Calculated Property |
| η | 0.0010813 | Pa×s | 390.75 | Joback Calculated Property |
| η | 0.0004794 | Pa×s | 444.62 | Joback Calculated Property |
| η | 0.0002534 | Pa×s | 498.49 | Joback Calculated Property |
| η | 0.0001517 | Pa×s | 552.35 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 606.22 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 660.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butoxypropan-2-yl 3,5,5-trimethylhexanoate.
Sources
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