- InChI
- InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
- InChI Key
- CSCPPACGZOOCGX-WFGJKAKNSA-N
- Formula
- C3D6O
- SMILES
- CC(C)=O
- Molecular Weight1
- 64.12
- CAS
- 666-52-4
- Other Names
-
- (2H6)acetone
- (CD3)2CO
- (D6)-2-propanone
- 2-Propanone-1,1,1,3,3,3-D6-
- 2-propanone-d6
- Acetone, perdeutero-
- Perdeuteroacetone
- hexadeutero-2-propanone
- hexadeuteroacetone
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- csound,fluid : Speed of sound in fluid (m/s).
- 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 | 0.3050 | Relay (1.0) Calculated Property | |
| EA | 0.00 ± 0.00 | eV | NIST |
| ΔfG° | -154.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.68; 9.70] | eV |
|
| IE | 9.70 ± 0.01 | eV | NIST |
| IE | 9.68 | eV | NIST |
| log10WS | 0.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.595 | Crippen Calculated Property | |
| McVol | 54.700 | ml/mol | McGowan Calculated Property |
| Pc | 4802.50 | kPa | Joback Calculated Property |
| Tboil | 329.20 | K | Relay (1.0) Calculated Property |
| Tc | 486.74 | K | Relay (1.0) Calculated Property |
| Tfus | 195.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.194 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [79.50; 109.74] | J/mol×K | [321.91; 500.25] |
|
| Cp,gas | 79.50 | J/mol×K | 321.91 | Joback Calculated Property |
| Cp,gas | 84.99 | J/mol×K | 351.63 | Joback Calculated Property |
| Cp,gas | 90.30 | J/mol×K | 381.36 | Joback Calculated Property |
| Cp,gas | 95.42 | J/mol×K | 411.08 | Joback Calculated Property |
| Cp,gas | 100.37 | J/mol×K | 440.80 | Joback Calculated Property |
| Cp,gas | 105.14 | J/mol×K | 470.53 | Joback Calculated Property |
| Cp,gas | 109.74 | J/mol×K | 500.25 | Joback Calculated Property |
| η | [0.0002432; 0.0022613] | Pa×s | [173.50; 321.91] |
|
| η | 0.0022613 | Pa×s | 173.50 | Joback Calculated Property |
| η | 0.0012367 | Pa×s | 198.23 | Joback Calculated Property |
| η | 0.0007733 | Pa×s | 222.97 | Joback Calculated Property |
| η | 0.0005311 | Pa×s | 247.70 | Joback Calculated Property |
| η | 0.0003905 | Pa×s | 272.44 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 297.17 | Joback Calculated Property |
| η | 0.0002432 | Pa×s | 321.91 | Joback Calculated Property |
Datasets
Speed of sound, m/s
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Speed of sound, m/s - Liquid |
| 288.20 | 100.00 | 1110.6 |
| 288.20 | 5020.00 | 1140.7 |
| 288.20 | 10060.00 | 1168.2 |
| 288.20 | 20010.00 | 1218.6 |
| 288.20 | 30090.00 | 1264.4 |
| 288.20 | 40050.00 | 1302.9 |
| 288.20 | 49940.00 | 1345.4 |
| 288.20 | 60000.00 | 1382.2 |
| 288.20 | 70020.00 | 1417.2 |
| 288.20 | 80060.00 | 1450.1 |
| 288.20 | 90030.00 | 1481.9 |
| 288.20 | 100110.00 | 1512.5 |
| 288.20 | 110100.00 | 1540.4 |
| 288.20 | 120100.00 | 1568.3 |
| 288.20 | 130120.00 | 1595.5 |
| 288.20 | 140000.00 | 1620.6 |
| 288.20 | 150150.00 | 1640.3 |
| 288.20 | 160030.00 | 1664.0 |
| 298.25 | 100.00 | 1071.6 |
| 298.25 | 5080.00 | 1103.4 |
| 298.25 | 10170.00 | 1131.8 |
| 298.25 | 20270.00 | 1183.7 |
| 298.25 | 30000.00 | 1229.6 |
| 298.25 | 40010.00 | 1272.1 |
| 298.25 | 50020.00 | 1312.0 |
| 298.25 | 60450.00 | 1350.7 |
| 298.25 | 70020.00 | 1383.8 |
| 298.25 | 80010.00 | 1416.9 |
| 298.25 | 90200.00 | 1443.5 |
| 298.25 | 100040.00 | 1478.7 |
| 298.25 | 110070.00 | 1507.6 |
| 298.25 | 120040.00 | 1535.4 |
| 298.25 | 130020.00 | 1561.1 |
| 298.25 | 140020.00 | 1586.5 |
| 298.25 | 150120.00 | 1611.2 |
| 298.25 | 159970.00 | 1634.8 |
| 308.22 | 100.00 | 1033.3 |
| 308.22 | 5040.00 | 1063.2 |
| 308.22 | 10000.00 | 1093.5 |
| 308.22 | 20090.00 | 1147.9 |
| 308.22 | 29990.00 | 1196.3 |
| 308.22 | 40040.00 | 1240.8 |
| 308.22 | 50090.00 | 1281.7 |
| 308.22 | 60060.00 | 1319.5 |
| 308.22 | 70070.00 | 1355.0 |
| 308.22 | 80090.00 | 1388.6 |
| 308.22 | 89970.00 | 1420.3 |
| 308.22 | 100070.00 | 1450.8 |
| 308.22 | 110070.00 | 1479.7 |
| 308.22 | 120060.00 | 1507.5 |
| 308.22 | 130120.00 | 1534.3 |
| 308.22 | 140080.00 | 1559.4 |
| 308.22 | 150120.00 | 1584.0 |
| 308.22 | 160000.00 | 1607.2 |
| 318.22 | 100.00 | 991.2 |
| 318.22 | 4980.00 | 1022.9 |
| 318.22 | 10070.00 | 1053.8 |
| 318.22 | 19990.00 | 1109.8 |
| 318.22 | 30040.00 | 1161.1 |
| 318.22 | 40070.00 | 1207.9 |
| 318.22 | 50060.00 | 1250.3 |
| 318.22 | 60010.00 | 1289.3 |
| 318.22 | 70120.00 | 1326.3 |
| 318.22 | 80030.00 | 1360.3 |
| 318.22 | 90090.00 | 1393.0 |
| 318.22 | 100300.00 | 1424.8 |
| 318.22 | 110120.00 | 1453.2 |
| 318.22 | 120030.00 | 1481.0 |
| 318.22 | 129970.00 | 1507.9 |
| 318.22 | 140110.00 | 1534.2 |
| 318.22 | 150060.00 | 1558.7 |
| 318.22 | 160060.00 | 1582.6 |
| 328.68 | 100.00 | 941.9 |
| 328.68 | 5090.00 | 977.6 |
| 328.68 | 10030.00 | 1009.5 |
| 328.68 | 20070.00 | 1068.8 |
| 328.68 | 30010.00 | 1121.9 |
| 328.68 | 40010.00 | 1171.1 |
| 328.68 | 50070.00 | 1215.9 |
| 328.68 | 60000.00 | 1256.7 |
| 328.68 | 70030.00 | 1294.8 |
| 328.68 | 80090.00 | 1330.4 |
| 328.68 | 90100.00 | 1364.0 |
| 328.68 | 100060.00 | 1396.1 |
| 328.68 | 110140.00 | 1426.4 |
| 328.68 | 120100.00 | 1454.7 |
| 328.68 | 130000.00 | 1481.9 |
| 328.68 | 140020.00 | 1508.4 |
| 328.68 | 150040.00 | 1533.8 |
| 328.68 | 160100.00 | 1557.9 |
| 338.72 | 100.00 | 888.6 |
| 338.72 | 5050.00 | 927.2 |
| 338.72 | 10020.00 | 962.5 |
| 338.72 | 20030.00 | 1025.1 |
| 338.72 | 30050.00 | 1081.4 |
| 338.72 | 40010.00 | 1132.6 |
| 338.72 | 49990.00 | 1179.8 |
| 338.72 | 60050.00 | 1223.2 |
| 338.72 | 70040.00 | 1262.8 |
| 338.72 | 79970.00 | 1299.3 |
| 338.72 | 90070.00 | 1334.7 |
| 338.72 | 100040.00 | 1367.5 |
| 338.72 | 110020.00 | 1398.5 |
| 338.72 | 119960.00 | 1428.5 |
| 338.72 | 130000.00 | 1456.6 |
| 338.72 | 140080.00 | 1484.3 |
| 338.72 | 150050.00 | 1510.5 |
| 338.72 | 159910.00 | 1535.5 |
| Reference | ||
Similar Compounds
Find more compounds similar to Acetone-D6.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Deuterium isotope differences in 2-propanone, (CH3)2CO/(CD3)2CO: A high-pressure sound-speed, density, and heat capacities study
- Joback Method
- McGowan Method
- NIST Webbook
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