Chemical Properties of Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans- (CAS 89-80-5)

InChI

InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1

InChI Key

NFLGAXVYCFJBMK-DTWKUNHWSA-N

Formula

C10H18O

SMILES

CC1CCC(C(C)C)C(=O)C1

Molecular Weight¹

154.25

CAS

89-80-5

Other Names

• (2R,5S)-2-Isopropyl-5-methylcyclohexanone
• 2-Isopropyl-5-methylcyclohexanone, trans
• Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-(.+./.-.)-
• DL-Menthone
• Menthan-3-one, trans
• Menthon
• Menthone
• Menthone G
• Menthone racemic
• Neomenthone
• p-Menthan-3-one, trans-
• p-Menthone
• trans-Menthan-3-one
• trans-Menthone
• trans-p-Menthan-3-one
• trans-p-Menthone

• 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°	-74.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-358.73	kJ/mol	Joback Calculated Property
ΔfusH°	10.55	kJ/mol	Joback Calculated Property
ΔvapH°	41.83	kJ/mol	Joback Calculated Property
log10WS	-2.35		Estimat...
logPoct/wat	2.648		Crippen Calculated Property
McVol	142.470	ml/mol	McGowan Calculated Property
Pc	2595.13	kPa	Joback Calculated Property
Inp	[1120.00; 1176.00]
Inp	1142.70		NIST
Inp	1130.00		NIST
Inp	1137.00		NIST
Inp	1138.00		NIST
Inp	1145.00		NIST
Inp	1122.00		NIST
Inp	1129.00		NIST
Inp	1142.00		NIST
Inp	1160.00		NIST
Inp	1143.00		NIST
Inp	1136.00		NIST
Inp	1139.00		NIST
Inp	1139.00		NIST
Inp	1139.00		NIST
Inp	1137.00		NIST
Inp	1139.00		NIST
Inp	1154.00		NIST
Inp	1136.00		NIST
Inp	1136.00		NIST
Inp	1125.00		NIST
Inp	1124.00		NIST
Inp	1137.00		NIST
Inp	1125.00		NIST
Inp	1125.00		NIST
Inp	1124.00		NIST
Inp	1148.00		NIST
Inp	1155.00		NIST
Inp	1136.00		NIST
Inp	1154.00		NIST
Inp	1168.00		NIST
Inp	1158.00		NIST
Inp	1155.00		NIST
Inp	1133.00		NIST
Inp	1154.00		NIST
Inp	1150.00		NIST
Inp	1136.00		NIST
Inp	1163.00		NIST
Inp	1125.00		NIST
Inp	1154.00		NIST
Inp	1153.00		NIST
Inp	1156.00		NIST
Inp	1154.00		NIST
Inp	1152.00		NIST
Inp	1131.00		NIST
Inp	Outlier 1176.00		NIST
Inp	1135.00		NIST
Inp	1127.00		NIST
Inp	1130.00		NIST
Inp	1132.00		NIST
Inp	1139.00		NIST
Inp	1131.00		NIST
Inp	1131.00		NIST
Inp	1134.00		NIST
Inp	1134.00		NIST
Inp	1135.00		NIST
Inp	1137.00		NIST
Inp	1131.00		NIST
Inp	1136.00		NIST
Inp	1135.00		NIST
Inp	1139.00		NIST
Inp	1155.00		NIST
Inp	Outlier 1172.00		NIST
Inp	1143.00		NIST
Inp	1156.00		NIST
Inp	1145.00		NIST
Inp	1141.00		NIST
Inp	1150.00		NIST
Inp	1153.00		NIST
Inp	1158.00		NIST
Inp	1160.00		NIST
Inp	1158.00		NIST
Inp	1159.00		NIST
Inp	1153.00		NIST
Inp	1136.00		NIST
Inp	1153.00		NIST
Inp	1161.00		NIST
Inp	1155.00		NIST
Inp	1125.00		NIST
Inp	1166.00		NIST
Inp	1139.00		NIST
Inp	1156.00		NIST
Inp	1127.00		NIST
Inp	1145.00		NIST
Inp	1153.00		NIST
Inp	1156.60		NIST
Inp	1157.00		NIST
Inp	1156.00		NIST
Inp	1154.00		NIST
Inp	1143.00		NIST
Inp	1167.00		NIST
Inp	1127.00		NIST
Inp	1153.00		NIST
Inp	1149.80		NIST
Inp	1152.00		NIST
Inp	1154.00		NIST
Inp	1156.00		NIST
Inp	1137.00		NIST
Inp	Outlier 1176.00		NIST
Inp	1139.00		NIST
Inp	1149.00		NIST
Inp	1152.00		NIST
Inp	1152.00		NIST
Inp	1152.00		NIST
Inp	1125.00		NIST
Inp	1126.00		NIST
Inp	1127.00		NIST
Inp	1130.00		NIST
Inp	1125.00		NIST
Inp	Outlier 1175.00		NIST
Inp	1165.00		NIST
Inp	1125.00		NIST
Inp	1154.00		NIST
Inp	1126.00		NIST
Inp	1136.00		NIST
Inp	1125.00		NIST
Inp	1135.00		NIST
Inp	1144.00		NIST
Inp	1125.00		NIST
Inp	1141.00		NIST
Inp	1142.00		NIST
Inp	1141.00		NIST
Inp	1129.00		NIST
Inp	1149.00		NIST
Inp	1134.00		NIST
Inp	1132.00		NIST
Inp	1120.00		NIST
Inp	1154.00		NIST
Inp	1154.00		NIST
Inp	1165.00		NIST
Inp	1153.00		NIST
Inp	1143.00		NIST
Inp	1153.00		NIST
Inp	1154.00		NIST
Inp	1155.00		NIST
Inp	1147.00		NIST
Inp	1138.00		NIST
Inp	1138.00		NIST
Inp	1153.00		NIST
Inp	1153.00		NIST
Inp	1154.00		NIST
Inp	1143.00		NIST
Inp	1141.00		NIST
Inp	1120.00		NIST
Inp	1154.00		NIST
Inp	1139.00		NIST
Inp	1142.00		NIST
Inp	1143.00		NIST
Inp	1140.00		NIST
Inp	1120.00		NIST
Inp	1143.00		NIST
Inp	1138.00		NIST
Inp	1142.00		NIST
Inp	1136.00		NIST
Inp	1155.00		NIST
Inp	1163.00		NIST
Inp	1154.00		NIST
Inp	1127.00		NIST
Inp	1131.00		NIST
I	[1427.00; 1504.00]
I	1492.00		NIST
I	1454.00		NIST
I	1440.00		NIST
I	1467.00		NIST
I	1438.00		NIST
I	Outlier 1504.00		NIST
I	1473.00		NIST
I	1474.00		NIST
I	1448.00		NIST
I	1456.00		NIST
I	1476.00		NIST
I	1451.00		NIST
I	1458.00		NIST
I	1472.00		NIST
I	1486.00		NIST
I	1478.00		NIST
I	1475.00		NIST
I	1450.00		NIST
I	1473.00		NIST
I	1444.00		NIST
I	1448.00		NIST
I	1455.00		NIST
I	1445.00		NIST
I	1476.00		NIST
I	1475.00		NIST
I	1464.00		NIST
I	1474.00		NIST
I	1474.00		NIST
I	1474.00		NIST
I	1474.00		NIST
I	1474.00		NIST
I	1478.00		NIST
I	1444.00		NIST
I	1449.00		NIST
I	1476.00		NIST
I	1478.00		NIST
I	1468.00		NIST
I	1444.00		NIST
I	Outlier 1502.00		NIST
I	1475.00		NIST
I	Outlier 1427.00		NIST
I	Outlier 1427.00		NIST
I	1475.00		NIST
I	1478.00		NIST
I	1475.00		NIST
I	1475.00		NIST
I	1475.00		NIST
I	1478.00		NIST
I	1432.00		NIST
I	1475.00		NIST
I	1455.00		NIST
I	1474.00		NIST
I	1478.00		NIST
I	1468.00		NIST
Tboil	510.46	K	Joback Calculated Property
Tc	728.68	K	Joback Calculated Property
Tfus	258.82	K	Joback Calculated Property
Vc	0.528	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.98; 443.91]	J/mol×K	[510.46; 728.68]
Cp,gas	338.98	J/mol×K	510.46	Joback Calculated Property
Cp,gas	358.78	J/mol×K	546.83	Joback Calculated Property
Cp,gas	377.66	J/mol×K	583.20	Joback Calculated Property
Cp,gas	395.62	J/mol×K	619.57	Joback Calculated Property
Cp,gas	412.65	J/mol×K	655.94	Joback Calculated Property
Cp,gas	428.75	J/mol×K	692.31	Joback Calculated Property
Cp,gas	443.91	J/mol×K	728.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-.

Sources

• Crippen Method
• Joback Method
• Estimated Solubility 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.