- InChI
- InChI=1S/C8H18O3/c1-5-6-7-8(9-2,10-3)11-4/h5-7H2,1-4H3
- InChI Key
- XUXVVQKJULMMKX-UHFFFAOYSA-N
- Formula
- C8H18O3
- SMILES
- CCCCC(OC)(OC)OC
- Molecular Weight1
- 162.23
- CAS
- 13820-09-2
- Other Names
-
- Orthovaleric acid, trimethyl ester
- Trimethyl orthovalerate
- 1,1,1-Trimethoxypentane
- ortho-n-Valeric acid trimethyl ester
- 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).
- 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 | 0.4316 | Relay (... Calculated Property | |
| ΔfG° | -295.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.76 | kJ/mol | Relay (... Calculated Property |
| IE | 9.44 | eV | Relay (... Calculated Property |
| log10WS | -1.84 | Relay (... Calculated Property | |
| logPoct/wat | 1.770 | Crippen Calculated Property | |
| McVol | 141.190 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Tboil | 438.20 | K | NIST |
| Tc | 601.66 | K | Relay (... Calculated Property |
| Tfus | 194.65 | K | Relay (... Calculated Property |
| Vc | 0.527 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.58; 383.76] | J/mol×K | [446.47; 620.72] | 
|
| Cp,gas | 309.58 | J/mol×K | 446.47 | Joback Calculated Property |
| Cp,gas | 323.05 | J/mol×K | 475.51 | Joback Calculated Property |
| Cp,gas | 336.08 | J/mol×K | 504.55 | Joback Calculated Property |
| Cp,gas | 348.67 | J/mol×K | 533.60 | Joback Calculated Property |
| Cp,gas | 360.82 | J/mol×K | 562.64 | Joback Calculated Property |
| Cp,gas | 372.51 | J/mol×K | 591.68 | Joback Calculated Property |
| Cp,gas | 383.76 | J/mol×K | 620.72 | Joback Calculated Property |
| η | [0.0001674; 0.0032508] | Pa×s | [249.03; 446.47] |
|
| η | 0.0032508 | Pa×s | 249.03 | Joback Calculated Property |
| η | 0.0014858 | Pa×s | 281.94 | Joback Calculated Property |
| η | 0.0007999 | Pa×s | 314.84 | Joback Calculated Property |
| η | 0.0004841 | Pa×s | 347.75 | Joback Calculated Property |
| η | 0.0003196 | Pa×s | 380.66 | Joback Calculated Property |
| η | 0.0002254 | Pa×s | 413.56 | Joback Calculated Property |
| η | 0.0001674 | Pa×s | 446.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 1,1,1-trimethoxy-.
Sources
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