- InChI
- InChI=1S/C9H16O4/c1-8(10)12-6-4-3-5-7-13-9(2)11/h3-7H2,1-2H3
- InChI Key
- PIJBVCVBCQOWMM-UHFFFAOYSA-N
- Formula
- C9H16O4
- SMILES
- CC(=O)OCCCCCOC(C)=O
- Molecular Weight1
- 188.22
- CAS
- 6963-44-6
- Other Names
-
- 1,5-Pentanediol diacetate
- Pentamethylene acetate
- pentane-1,5-diyl diacetate
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6572 | Relay (1.0) Calculated Property | |
| ΔfG° | -595.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -860.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.283 | Crippen Calculated Property | |
| McVol | 152.550 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Tboil | 517.00 | K | NIST |
| Tc | 672.94 | K | Relay (1.0) Calculated Property |
| Tfus | 254.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.595 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.64; 427.66] | J/mol×K | [521.96; 698.44] | 
|
| Cp,gas | 358.64 | J/mol×K | 521.96 | Joback Calculated Property |
| Cp,gas | 371.48 | J/mol×K | 551.37 | Joback Calculated Property |
| Cp,gas | 383.79 | J/mol×K | 580.79 | Joback Calculated Property |
| Cp,gas | 395.56 | J/mol×K | 610.20 | Joback Calculated Property |
| Cp,gas | 406.80 | J/mol×K | 639.61 | Joback Calculated Property |
| Cp,gas | 417.50 | J/mol×K | 669.03 | Joback Calculated Property |
| Cp,gas | 427.66 | J/mol×K | 698.44 | Joback Calculated Property |
| η | [0.0001809; 0.0049603] | Pa×s | [275.85; 521.96] |
|
| η | 0.0049603 | Pa×s | 275.85 | Joback Calculated Property |
| η | 0.0019984 | Pa×s | 316.87 | Joback Calculated Property |
| η | 0.0009916 | Pa×s | 357.89 | Joback Calculated Property |
| η | 0.0005683 | Pa×s | 398.91 | Joback Calculated Property |
| η | 0.0003614 | Pa×s | 439.92 | Joback Calculated Property |
| η | 0.0002482 | Pa×s | 480.94 | Joback Calculated Property |
| η | 0.0001809 | Pa×s | 521.96 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 395.70 | K | 0.40 | NIST |
Similar Compounds
Find more compounds similar to 1,5-Diacetoxypentane.
Sources
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