Chemical Properties of 2-Cyclohexen-1-one, 4-(1-methylethyl)- (CAS 500-02-7)

InChI

InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3

InChI Key

AANMVENRNJYEMK-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CC(C)C1C=CC(=O)CC1

Molecular Weight¹

138.21

CAS

500-02-7

Other Names

• 4-Isopropylcyclohex-2-enone
• Crypton
• Cryptone
• Cryptone, L-
• 2-Cyclohexen-1-one, 4-isopropyl-
• 4-(1-Methylethyl)-2-cyclohexen-1-one
• 4-Isopropyl-2-cyclohexenone
• 4-Isopropyl-2-cyclohexen-1-one
• Kryptone
• NSC 22060
• 2-Cyclohexenone, 4-isopropyl
• Criptone
• 4-isopropylcyclohex-2-en-1-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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 : 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
ΔfG°	-45.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-259.97	kJ/mol	Joback Calculated Property
ΔfusH°	8.11	kJ/mol	Joback Calculated Property
ΔvapH°	40.21	kJ/mol	Joback Calculated Property
log10WS	-2.13		Crippen Calculated Property
logPoct/wat	2.178		Crippen Calculated Property
McVol	124.080	ml/mol	McGowan Calculated Property
Pc	3093.29	kPa	Joback Calculated Property
Inp	[1140.00; 1202.00]
Inp	1185.00		NIST
Inp	1183.00		NIST
Inp	1187.00		NIST
Inp	1195.00		NIST
Inp	1188.00		NIST
Inp	1150.00		NIST
Inp	1148.00		NIST
Inp	1183.00		NIST
Inp	1186.00		NIST
Inp	1184.00		NIST
Inp	1153.00		NIST
Inp	1156.00		NIST
Inp	1157.00		NIST
Inp	1169.00		NIST
Inp	1177.00		NIST
Inp	1179.00		NIST
Inp	1186.00		NIST
Inp	1148.00		NIST
Inp	1157.00		NIST
Inp	1156.00		NIST
Inp	1150.00		NIST
Inp	1148.00		NIST
Inp	1165.00		NIST
Inp	1188.00		NIST
Inp	1160.00		NIST
Inp	1160.00		NIST
Inp	1160.00		NIST
Inp	1180.00		NIST
Inp	1192.00		NIST
Inp	1152.00		NIST
Inp	1194.00		NIST
Inp	1191.00		NIST
Inp	1191.00		NIST
Inp	1155.00		NIST
Inp	1177.00		NIST
Inp	Outlier 1202.00		NIST
Inp	1177.00		NIST
Inp	1178.00		NIST
Inp	1177.00		NIST
Inp	1163.00		NIST
Inp	1184.00		NIST
Inp	Outlier 1140.00		NIST
Inp	1156.00		NIST
Inp	1165.00		NIST
Inp	1165.00		NIST
Inp	1160.00		NIST
Inp	1184.00		NIST
Inp	1159.00		NIST
Inp	1183.00		NIST
Inp	1151.00		NIST
Inp	1165.00		NIST
Inp	1183.00		NIST
Inp	1165.00		NIST
Inp	1165.00		NIST
Inp	1165.00		NIST
Inp	1161.00		NIST
Inp	1159.00		NIST
Inp	1159.00		NIST
Inp	1187.00		NIST
Inp	1146.00		NIST
Inp	1186.00		NIST
Inp	1158.00		NIST
Inp	1167.00		NIST
Inp	1178.00		NIST
Inp	1180.00		NIST
Inp	1189.00		NIST
Inp	1181.00		NIST
Inp	1200.00		NIST
Inp	1186.00		NIST
Inp	1186.00		NIST
Inp	1173.00		NIST
Inp	1148.00		NIST
Inp	1172.00		NIST
Inp	1159.00		NIST
Inp	1160.00		NIST
Inp	1152.00		NIST
Inp	1177.00		NIST
Inp	1163.00		NIST
Inp	1165.00		NIST
Inp	1151.00		NIST
Inp	1184.00		NIST
Inp	1156.00		NIST
Inp	1183.00		NIST
Inp	1185.00		NIST
Inp	1150.00		NIST
I	[1642.00; 1713.00]
I	Outlier 1713.00		NIST
I	Outlier 1645.00		NIST
I	1660.00		NIST
I	1668.00		NIST
I	1665.00		NIST
I	1675.00		NIST
I	1658.00		NIST
I	Outlier 1642.00		NIST
I	1661.00		NIST
I	1687.00		NIST
I	1690.00		NIST
I	1679.00		NIST
I	1679.00		NIST
I	1669.00		NIST
I	1659.00		NIST
I	1669.00		NIST
I	Outlier 1644.00		NIST
I	1668.00		NIST
I	1668.00		NIST
I	1679.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1669.00		NIST
I	1690.00		NIST
I	1687.00		NIST
I	1687.00		NIST
I	1687.00		NIST
I	1687.00		NIST
I	1687.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1660.00		NIST
I	Outlier 1713.00		NIST
Tboil	491.41	K	Joback Calculated Property
Tc	715.76	K	Joback Calculated Property
Tfus	252.55	K	Joback Calculated Property
Vc	0.460	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.08; 365.78]	J/mol×K	[491.41; 715.76]
Cp,gas	275.08	J/mol×K	491.41	Joback Calculated Property
Cp,gas	292.29	J/mol×K	528.80	Joback Calculated Property
Cp,gas	308.67	J/mol×K	566.19	Joback Calculated Property
Cp,gas	324.21	J/mol×K	603.58	Joback Calculated Property
Cp,gas	338.91	J/mol×K	640.98	Joback Calculated Property
Cp,gas	352.76	J/mol×K	678.37	Joback Calculated Property
Cp,gas	365.78	J/mol×K	715.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclohexen-1-one, 4-(1-methylethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.