Chemical Properties of 1-Octen-3-one (CAS 4312-99-6)

InChI

InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3

InChI Key

KLTVSWGXIAYTHO-UHFFFAOYSA-N

Formula

C8H14O

SMILES

C=CC(=O)CCCCC

Molecular Weight¹

126.20

CAS

4312-99-6

Other Names

• 1-Octene-3-one
• Amyl vinyl ketone
• Oct-1-en-3-one
• Pentyl vinyl ketone
• Vinyl amyl ketone
• octen-3-one, 1

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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
ω	0.4675		Relay (1.0) Calculated Property
ΔfG°	-24.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-224.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.79	kJ/mol	Joback Calculated Property
ΔvapH°	48.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-2.00		Relay (1.0) Calculated Property
logPoct/wat	2.322		Crippen Calculated Property
McVol	120.850	ml/mol	McGowan Calculated Property
Pc	2826.33	kPa	Joback Calculated Property
Inp	[947.00; 1007.00]
Inp	962.00		NIST
Inp	Outlier 953.00		NIST
Inp	961.00		NIST
Inp	975.00		NIST
Inp	966.00		NIST
Inp	975.00		NIST
Inp	978.00		NIST
Inp	979.00		NIST
Inp	980.00		NIST
Inp	978.00		NIST
Inp	979.00		NIST
Inp	988.00		NIST
Inp	988.00		NIST
Inp	Outlier 1007.00		NIST
Inp	983.00		NIST
Inp	983.00		NIST
Inp	978.00		NIST
Inp	985.00		NIST
Inp	980.00		NIST
Inp	978.00		NIST
Inp	977.00		NIST
Inp	987.00		NIST
Inp	956.00		NIST
Inp	956.00		NIST
Inp	980.00		NIST
Inp	978.00		NIST
Inp	980.00		NIST
Inp	981.00		NIST
Inp	980.00		NIST
Inp	977.00		NIST
Inp	978.00		NIST
Inp	983.00		NIST
Inp	962.00		NIST
Inp	982.00		NIST
Inp	978.00		NIST
Inp	979.00		NIST
Inp	979.00		NIST
Inp	974.00		NIST
Inp	980.00		NIST
Inp	979.00		NIST
Inp	977.00		NIST
Inp	975.00		NIST
Inp	975.00		NIST
Inp	976.00		NIST
Inp	977.30		NIST
Inp	986.00		NIST
Inp	973.00		NIST
Inp	957.00		NIST
Inp	981.00		NIST
Inp	979.00		NIST
Inp	977.00		NIST
Inp	979.00		NIST
Inp	978.10		NIST
Inp	981.00		NIST
Inp	968.00		NIST
Inp	Outlier 954.00		NIST
Inp	977.90		NIST
Inp	977.00		NIST
Inp	977.00		NIST
Inp	Outlier 947.00		NIST
Inp	958.00		NIST
Inp	975.00		NIST
Inp	979.00		NIST
Inp	979.00		NIST
Inp	981.00		NIST
Inp	979.00		NIST
Inp	971.00		NIST
Inp	968.00		NIST
Inp	986.00		NIST
Inp	958.00		NIST
Inp	991.00		NIST
Inp	991.00		NIST
Inp	980.00		NIST
Inp	979.00		NIST
Inp	981.00		NIST
Inp	975.00		NIST
Inp	975.00		NIST
Inp	973.00		NIST
Inp	974.00		NIST
Inp	975.00		NIST
Inp	978.00		NIST
Inp	975.00		NIST
Inp	981.00		NIST
Inp	980.00		NIST
Inp	975.00		NIST
Inp	982.00		NIST
Inp	986.00		NIST
Inp	980.00		NIST
Inp	982.00		NIST
Inp	982.00		NIST
Inp	981.00		NIST
Inp	977.00		NIST
Inp	978.00		NIST
Inp	980.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Inp	980.00		NIST
Inp	980.00		NIST
Inp	977.00		NIST
Inp	977.00		NIST
Inp	980.00		NIST
Inp	975.00		NIST
Inp	979.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	979.00		NIST
Inp	975.00		NIST
Inp	Outlier 954.00		NIST
Inp	978.00		NIST
Inp	981.00		NIST
Inp	976.00		NIST
Inp	979.00		NIST
Inp	976.00		NIST
Inp	956.00		NIST
Inp	960.00		NIST
Inp	960.00		NIST
Inp	979.00		NIST
Inp	976.00		NIST
Inp	985.00		NIST
Inp	983.00		NIST
Inp	979.00		NIST
Inp	978.00		NIST
Inp	973.00		NIST
Inp	956.00		NIST
Inp	978.00		NIST
Inp	970.00		NIST
Inp	961.00		NIST
Inp	961.00		NIST
Inp	961.00		NIST
Inp	983.00		NIST
Inp	973.00		NIST
Inp	972.00		NIST
Inp	982.00		NIST
Inp	976.00		NIST
Inp	980.00		NIST
Inp	978.00		NIST
Inp	979.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	979.00		NIST
Inp	974.00		NIST
Inp	975.00		NIST
Inp	Outlier 949.00		NIST
Inp	Outlier 953.00		NIST
Inp	Outlier 955.00		NIST
Inp	980.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	Outlier 952.00		NIST
Inp	Outlier 952.00		NIST
Inp	980.00		NIST
Inp	980.00		NIST
Inp	Outlier 952.00		NIST
Inp	958.00		NIST
Inp	959.00		NIST
Inp	977.00		NIST
Inp	988.00		NIST
Inp	975.00		NIST
Inp	980.00		NIST
Inp	980.00		NIST
Inp	975.00		NIST
Inp	Outlier 952.00		NIST
Inp	981.00		NIST
Inp	980.00		NIST
Inp	976.00		NIST
Inp	981.00		NIST
Inp	991.00		NIST
Inp	975.00		NIST
Inp	980.00		NIST
Inp	978.00		NIST
Inp	986.00		NIST
Inp	959.00		NIST
Inp	Outlier 953.00		NIST
Inp	980.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Inp	956.00		NIST
Inp	956.00		NIST
Inp	977.00		NIST
Inp	983.00		NIST
Inp	964.00		NIST
Inp	972.00		NIST
Inp	984.00		NIST
Inp	967.00		NIST
Inp	967.00		NIST
Inp	979.00		NIST
Inp	978.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	979.00		NIST
Inp	978.00		NIST
Inp	963.00		NIST
Inp	980.00		NIST
Inp	980.00		NIST
Inp	980.00		NIST
Inp	979.00		NIST
Inp	980.00		NIST
Inp	979.00		NIST
Inp	981.00		NIST
Inp	Outlier 953.00		NIST
Inp	975.00		NIST
Inp	979.00		NIST
Inp	978.00		NIST
Inp	961.00		NIST
Inp	972.00		NIST
Inp	981.00		NIST
Inp	980.00		NIST
Inp	983.00		NIST
Inp	977.00		NIST
Inp	986.00		NIST
Inp	Outlier 954.00		NIST
Inp	958.00		NIST
Inp	971.00		NIST
Inp	991.00		NIST
Ip	[1270.00; 1333.80]
Ip	1280.00		NIST
Ip	1280.00		NIST
Ip	1290.00		NIST
Ip	1290.00		NIST
Ip	1317.00		NIST
Ip	1317.00		NIST
Ip	1305.00		NIST
Ip	1303.00		NIST
Ip	1301.00		NIST
Ip	1296.00		NIST
Ip	1299.00		NIST
Ip	1308.00		NIST
Ip	1310.00		NIST
Ip	1298.00		NIST
Ip	1314.00		NIST
Ip	1285.00		NIST
Ip	1300.00		NIST
Ip	1306.00		NIST
Ip	1317.00		NIST
Ip	1277.00		NIST
Ip	1303.00		NIST
Ip	1298.00		NIST
Ip	1297.00		NIST
Ip	1285.00		NIST
Ip	1299.00		NIST
Ip	1309.00		NIST
Ip	Outlier 1275.00		NIST
Ip	Outlier 1270.00		NIST
Ip	1293.00		NIST
Ip	1289.00		NIST
Ip	1295.00		NIST
Ip	1295.00		NIST
Ip	1320.00		NIST
Ip	1315.00		NIST
Ip	1305.00		NIST
Ip	1289.00		NIST
Ip	1307.00		NIST
Ip	1290.00		NIST
Ip	1289.00		NIST
Ip	1323.00		NIST
Ip	1298.00		NIST
Ip	1302.00		NIST
Ip	1305.00		NIST
Ip	1311.00		NIST
Ip	1311.00		NIST
Ip	1279.00		NIST
Ip	1307.00		NIST
Ip	1297.00		NIST
Ip	1302.00		NIST
Ip	1294.00		NIST
Ip	1296.00		NIST
Ip	1296.00		NIST
Ip	1309.00		NIST
Ip	1306.50		NIST
Ip	1306.00		NIST
Ip	1296.00		NIST
Ip	1301.00		NIST
Ip	1302.00		NIST
Ip	1300.00		NIST
Ip	Outlier 1327.00		NIST
Ip	1292.00		NIST
Ip	1283.00		NIST
Ip	1316.00		NIST
Ip	1316.00		NIST
Ip	1322.00		NIST
Ip	1324.00		NIST
Ip	1322.00		NIST
Ip	1322.00		NIST
Ip	1288.00		NIST
Ip	1292.00		NIST
Ip	1300.00		NIST
Ip	1299.00		NIST
Ip	1300.00		NIST
Ip	1308.00		NIST
Ip	1298.00		NIST
Ip	1304.00		NIST
Ip	1306.00		NIST
Ip	1298.00		NIST
Ip	1316.00		NIST
Ip	1317.00		NIST
Ip	1293.00		NIST
Ip	1326.00		NIST
Ip	1305.00		NIST
Ip	1301.00		NIST
Ip	1300.00		NIST
Ip	1300.00		NIST
Ip	1296.00		NIST
Ip	1296.00		NIST
Ip	1295.00		NIST
Ip	1296.00		NIST
Ip	1301.00		NIST
Ip	1281.00		NIST
Ip	1278.00		NIST
Ip	1296.00		NIST
Ip	1310.00		NIST
Ip	1306.00		NIST
Ip	1306.00		NIST
Ip	1292.00		NIST
Ip	1288.00		NIST
Ip	1288.00		NIST
Ip	1296.00		NIST
Ip	1300.00		NIST
Ip	1292.00		NIST
Ip	1313.00		NIST
Ip	Outlier 1333.80		NIST
Ip	Outlier 1333.00		NIST
Ip	Outlier 1274.00		NIST
Ip	1298.00		NIST
Ip	1320.00		NIST
Ip	1295.00		NIST
Ip	1310.00		NIST
Ip	1297.00		NIST
Ip	1300.00		NIST
Ip	1310.00		NIST
Ip	1313.00		NIST
Ip	Outlier 1327.00		NIST
Ip	Outlier 1331.00		NIST
Ip	1300.00		NIST
Ip	1296.00		NIST
Ip	1309.00		NIST
Ip	1309.00		NIST
Ip	1305.00		NIST
Ip	1300.00		NIST
Ip	1290.00		NIST
Ip	1315.00		NIST
Ip	1304.00		NIST
Ip	1324.00		NIST
Ip	1324.00		NIST
Ip	Outlier 1328.00		NIST
Ip	1279.00		NIST
Ip	1282.00		NIST
Ip	1282.00		NIST
Ip	1279.00		NIST
Ip	1282.00		NIST
Ip	1317.00		NIST
Ip	1309.00		NIST
Ip	1309.00		NIST
Ip	1313.00		NIST
Ip	1295.00		NIST
Ip	1291.00		NIST
Ip	1301.00		NIST
Ip	1302.00		NIST
Ip	1309.00		NIST
Ip	1290.00		NIST
Ip	1300.00		NIST
Ip	1291.00		NIST
Ip	1305.00		NIST
Ip	1285.00		NIST
Ip	1296.00		NIST
Ip	Outlier 1333.00		NIST
Ip	1297.00		NIST
Ip	1315.00		NIST
Ip	1312.00		NIST
Ip	1309.00		NIST
Ip	1307.00		NIST
Ip	1310.00		NIST
Ip	1325.00		NIST
Ip	1279.00		NIST
Ip	1298.00		NIST
Ip	1297.00		NIST
Ip	1312.00		NIST
Ip	1304.00		NIST
Ip	1284.00		NIST
Ip	1290.00		NIST
Ip	1290.00		NIST
Ip	1290.00		NIST
Ip	1290.00		NIST
Ip	1319.00		NIST
Ip	1299.00		NIST
Ip	1294.00		NIST
Ip	1303.00		NIST
Ip	1303.00		NIST
Ip	1312.00		NIST
Ip	1296.00		NIST
Ip	1305.00		NIST
Ip	1289.00		NIST
Ip	1306.00		NIST
Ip	1295.00		NIST
Ip	1295.00		NIST
Ip	1301.00		NIST
Ip	1295.00		NIST
Ip	1304.00		NIST
Ip	1304.00		NIST
Ip	1304.00		NIST
Ip	1295.00		NIST
Ip	1295.00		NIST
Ip	1295.00		NIST
Ip	1295.00		NIST
Ip	1295.00		NIST
Ip	1322.00		NIST
Ip	1321.00		NIST
Ip	1304.00		NIST
Ip	1298.00		NIST
Ip	1311.00		NIST
Ip	1302.00		NIST
Ip	1304.00		NIST
Ip	1296.00		NIST
Ip	1292.00		NIST
Ip	1311.00		NIST
Ip	1302.00		NIST
Ip	1296.00		NIST
Ip	1300.00		NIST
Ip	1287.00		NIST
Ip	1290.00		NIST
Ip	1304.00		NIST
Ip	1292.00		NIST
Ip	1315.00		NIST
Ip	1290.00		NIST
Ip	1281.00		NIST
Ip	1290.00		NIST
Ip	1305.00		NIST
Ip	Outlier 1274.00		NIST
Ip	1297.00		NIST
Ip	Outlier 1331.00		NIST
Ip	1305.00		NIST
Ip	1324.00		NIST
Ip	1282.00		NIST
Ip	1309.00		NIST
Ip	1302.00		NIST
Ip	1315.00		NIST
Ip	1325.00		NIST
Ip	1304.00		NIST
Ip	1290.00		NIST
Tboil	409.52	K	Relay (1.0) Calculated Property
Tc	630.18	K	Relay (1.0) Calculated Property
Tfus	225.02	K	Relay (1.0) Calculated Property
Vc	0.454	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.31; 392.56]	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			-1.60000e-02
Coefficient B			7.15820e-01
Coefficient C			-4.15600e-04
Coefficient D			9.23600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.31	J/mol×K	273.00	Calculated Property
Cp,gas	205.30	J/mol×K	353.78	Calculated Property
Cp,gas	240.15	J/mol×K	434.56	Calculated Property
Cp,gas	271.14	J/mol×K	515.33	Calculated Property
Cp,gas	298.57	J/mol×K	596.11	Calculated Property
Cp,gas	322.74	J/mol×K	676.89	Calculated Property
Cp,gas	343.93	J/mol×K	757.67	Calculated Property
Cp,gas	362.44	J/mol×K	838.44	Calculated Property
Cp,gas	378.55	J/mol×K	919.22	Calculated Property
Cp,gas	392.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038763; 0.0003018]	Pa×s	[228.09; 428.59]	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			-1.10101e+01
Coefficient B			1.24475e+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.			228.09
Temperature range, max.			428.59
η	0.0038763	Pa×s	228.09	Calculated Property
η	0.0023852	Pa×s	250.37	Calculated Property
η	0.0015889	Pa×s	272.65	Calculated Property
η	0.0011255	Pa×s	294.92	Calculated Property
η	0.0008368	Pa×s	317.20	Calculated Property
η	0.0006468	Pa×s	339.48	Calculated Property
η	0.0005161	Pa×s	361.76	Calculated Property
η	0.0004227	Pa×s	384.04	Calculated Property
η	0.0003539	Pa×s	406.31	Calculated Property
η	0.0003018	Pa×s	428.59	Calculated Property

Similar Compounds

Find more compounds similar to 1-Octen-3-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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