- InChI
- InChI=1S/C10H18O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-8H2,1-2H3
- InChI Key
- ADGOOVVFTLKVKH-UHFFFAOYSA-N
- Formula
- C10H18O4
- SMILES
- CCC(=O)OCCCCOC(=O)CC
- Molecular Weight1
- 202.25
- 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 | 0.6994 | Relay (1.0) Calculated Property | |
| ΔfG° | -587.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -877.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.673 | Crippen Calculated Property | |
| McVol | 166.640 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| Tboil | 517.02 | K | Relay (1.0) Calculated Property |
| Tc | 682.02 | K | Relay (1.0) Calculated Property |
| Tfus | 249.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.29; 551.46] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.46160e+01 | |||
| Coefficient B | 8.44240e-01 | |||
| Coefficient C | -3.31000e-04 | |||
| Coefficient D | -6.40000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 250.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 301.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 348.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 390.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 428.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 462.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 491.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 516.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 536.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 551.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046026; 0.0002194] | Pa×s | [287.12; 503.86] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.24565e+01 | |||
| Coefficient B | 2.03148e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 287.12 | |||
| Temperature range, max. | 503.86 | |||
| η | 0.0046026 | Pa×s | 287.12 | Calculated Property |
| η | 0.0026621 | Pa×s | 311.20 | Calculated Property |
| η | 0.0016657 | Pa×s | 335.29 | Calculated Property |
| η | 0.0011098 | Pa×s | 359.37 | Calculated Property |
| η | 0.0007781 | Pa×s | 383.45 | Calculated Property |
| η | 0.0005690 | Pa×s | 407.53 | Calculated Property |
| η | 0.0004308 | Pa×s | 431.62 | Calculated Property |
| η | 0.0003360 | Pa×s | 455.70 | Calculated Property |
| η | 0.0002686 | Pa×s | 479.78 | Calculated Property |
| η | 0.0002194 | Pa×s | 503.86 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Butanediol, dipropionate.
Sources
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