Chemical Properties of Acetone-D6 (CAS 666-52-4)

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• c_sound,fluid : Speed of sound in fluid (m/s).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
EA	0.00 ± 0.00	eV	NIST
ΔfG°	-154.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-217.83	kJ/mol	Joback Calculated Property
ΔfusH°	5.12	kJ/mol	Joback Calculated Property
ΔvapH°	29.02	kJ/mol	Joback Calculated Property
IE	[9.68; 9.70]	eV
IE	9.70 ± 0.01	eV	NIST
IE	9.68	eV	NIST
log10WS	-0.36		Crippen 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	321.91	K	Joback Calculated Property
Tc	500.25	K	Joback Calculated Property
Tfus	173.50	K	Joback Calculated Property
Vc	0.209	m3/kmol	Joback 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

• 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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