Chemical Properties of 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)- (CAS 21391-98-0)

InChI

InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3

InChI Key

AEVLWICMAHGAMS-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC(C)C1CC=C(C=O)CC1

Molecular Weight¹

152.23

CAS

21391-98-0

Other Names

• Phellandral
• 4-Isopropyl-1-cyclohexene-1-carbaldehyde
• 4-[1-Methylethyl]-1-cyclohexene-1-carboxaldehyde
• p-Menth-1-en-7-al
• 4-isopropylcyclohexenecarbaldehyde

• 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).
• 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°	-23.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-239.96	kJ/mol	Joback Calculated Property
ΔfusH°	13.09	kJ/mol	Joback Calculated Property
ΔvapH°	45.57	kJ/mol	Joback Calculated Property
log10WS	-2.55		Crippen Calculated Property
logPoct/wat	2.568		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Pc	2859.68	kPa	Joback Calculated Property
Inp	[1237.00; 1298.00]
Inp	1274.00		NIST
Inp	1273.00		NIST
Inp	1287.00		NIST
Inp	1250.00		NIST
Inp	1273.00		NIST
Inp	1272.00		NIST
Inp	Outlier 1237.00		NIST
Inp	1249.00		NIST
Inp	1252.00		NIST
Inp	1249.00		NIST
Inp	1273.00		NIST
Inp	1276.00		NIST
Inp	1276.00		NIST
Inp	1249.00		NIST
Inp	1281.00		NIST
Inp	1281.00		NIST
Inp	1279.00		NIST
Inp	Outlier 1298.00		NIST
Inp	1280.00		NIST
Inp	1251.00		NIST
Inp	1259.00		NIST
Inp	1255.00		NIST
Inp	1239.00		NIST
Inp	1265.00		NIST
Inp	1258.00		NIST
Inp	1271.20		NIST
Inp	1281.00		NIST
Inp	1280.00		NIST
Inp	1277.00		NIST
Inp	1267.00		NIST
Inp	1271.00		NIST
Inp	1252.00		NIST
Inp	1271.00		NIST
Inp	1281.00		NIST
Inp	1252.00		NIST
I	[1695.00; 1770.00]
I	1759.00		NIST
I	1695.00		NIST
I	1715.00		NIST
I	1696.00		NIST
I	1700.00		NIST
I	1710.00		NIST
I	1770.00		NIST
I	1720.00		NIST
I	1744.00		NIST
I	1744.00		NIST
I	1741.00		NIST
I	1744.00		NIST
I	1744.00		NIST
I	1744.00		NIST
I	1744.00		NIST
I	1744.00		NIST
I	1744.00		NIST
I	1759.00		NIST
I	1695.00		NIST
Tboil	500.11	K	Joback Calculated Property
Tc	710.00	K	Joback Calculated Property
Tfus	250.12	K	Joback Calculated Property
Vc	0.525	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[312.82; 400.72]	J/mol×K	[500.11; 710.00]
Cp,gas	312.82	J/mol×K	500.11	Joback Calculated Property
Cp,gas	329.63	J/mol×K	535.09	Joback Calculated Property
Cp,gas	345.55	J/mol×K	570.07	Joback Calculated Property
Cp,gas	360.59	J/mol×K	605.06	Joback Calculated Property
Cp,gas	374.78	J/mol×K	640.04	Joback Calculated Property
Cp,gas	388.15	J/mol×K	675.02	Joback Calculated Property
Cp,gas	400.72	J/mol×K	710.00	Joback Calculated Property
η	[0.0002874; 0.0053140]	Pa×s	[250.12; 500.11]
η	0.0053140	Pa×s	250.12	Joback Calculated Property
η	0.0023094	Pa×s	291.78	Joback Calculated Property
η	0.0012360	Pa×s	333.45	Joback Calculated Property
η	0.0007601	Pa×s	375.12	Joback Calculated Property
η	0.0005151	Pa×s	416.78	Joback Calculated Property
η	0.0003747	Pa×s	458.44	Joback Calculated Property
η	0.0002874	Pa×s	500.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Cyclohexene-1-carboxaldehyde, 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.