Chemical Properties of 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)- (CAS 2111-75-3)

InChI

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3

InChI Key

RUMOYJJNUMEFDD-UHFFFAOYSA-N

Formula

C10H14O

SMILES

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

Molecular Weight¹

150.22

CAS

2111-75-3

Other Names

• 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-
• 4-Isopropenyl-1-cyclohexene-1-carboxaldehyde
• 4-isopropenylcyclohex-1-enecarbaldehyde
• Dihydrocuminyl aldehyde
• NSC 138642
• Perilla aldehyde
• Perillal
• Perillaldehyde
• Perillyl aldehyde
• Perrilla aldehyde
• p-Isopropenyl cyclohexencarbaldehyde
• p-Mentha-1,8-dien-7-al
• para-Mentha-1,8-dien-7-al
• perrilaldehyde
• Perillic aldehyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.02	kJ/mol	Joback Calculated Property
ΔvapH°	61.27	kJ/mol	Relay (1.0) Calculated Property
IE	10.10	eV	NIST
log10WS	-2.51		Relay (1.0) Calculated Property
logPoct/wat	2.488		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Inp	[1238.00; 1309.00]
Inp	1257.00		NIST
Inp	1271.00		NIST
Inp	1254.00		NIST
Inp	1279.20		NIST
Inp	1263.00		NIST
Inp	1246.00		NIST
Inp	1272.00		NIST
Inp	1274.00		NIST
Inp	1257.00		NIST
Inp	1268.00		NIST
Inp	1241.00		NIST
Inp	1245.00		NIST
Inp	1248.00		NIST
Inp	1271.00		NIST
Inp	1272.00		NIST
Inp	1290.00		NIST
Inp	1271.00		NIST
Inp	1262.00		NIST
Inp	1238.00		NIST
Inp	1271.00		NIST
Inp	1270.00		NIST
Inp	1270.00		NIST
Inp	1257.00		NIST
Inp	1257.00		NIST
Inp	1242.00		NIST
Inp	1277.00		NIST
Inp	1252.00		NIST
Inp	1253.00		NIST
Inp	1285.40		NIST
Inp	1294.00		NIST
Inp	1270.00		NIST
Inp	1279.00		NIST
Inp	1272.00		NIST
Inp	1272.00		NIST
Inp	1276.00		NIST
Inp	1277.00		NIST
Inp	1273.00		NIST
Inp	1279.00		NIST
Inp	1271.00		NIST
Inp	1276.00		NIST
Inp	1294.00		NIST
Inp	1271.00		NIST
Inp	1263.00		NIST
Inp	1270.00		NIST
Inp	1274.00		NIST
Inp	1242.00		NIST
Inp	1274.00		NIST
Inp	1244.00		NIST
Inp	1245.00		NIST
Inp	1251.00		NIST
Inp	1250.00		NIST
Inp	1272.00		NIST
Inp	1286.00		NIST
Inp	1271.00		NIST
Inp	1279.00		NIST
Inp	1271.00		NIST
Inp	1250.00		NIST
Inp	1246.00		NIST
Inp	1257.00		NIST
Inp	1257.00		NIST
Inp	1257.00		NIST
Inp	1270.00		NIST
Inp	1268.00		NIST
Inp	1257.00		NIST
Inp	1272.00		NIST
Inp	1251.00		NIST
Inp	1270.00		NIST
Inp	1269.00		NIST
Inp	1253.00		NIST
Inp	1253.00		NIST
Inp	1291.00		NIST
Inp	1255.00		NIST
Inp	1274.00		NIST
Inp	1265.00		NIST
Inp	1252.00		NIST
Inp	1253.00		NIST
Inp	1260.00		NIST
Inp	1254.00		NIST
Inp	1250.00		NIST
Inp	1252.00		NIST
Inp	1250.00		NIST
Inp	1248.00		NIST
Inp	1250.00		NIST
Inp	1295.00		NIST
Inp	Outlier 1303.00		NIST
Inp	1272.00		NIST
Inp	1293.00		NIST
Inp	1278.00		NIST
Inp	Outlier 1309.00		NIST
Inp	1270.00		NIST
Inp	1272.00		NIST
Inp	1278.00		NIST
Inp	1277.00		NIST
Inp	1290.00		NIST
Inp	1271.00		NIST
Inp	1271.00		NIST
Inp	Outlier 1303.00		NIST
Inp	1252.00		NIST
Inp	1291.00		NIST
Inp	1252.00		NIST
Inp	1247.00		NIST
Inp	1271.00		NIST
Inp	1248.00		NIST
Inp	1252.00		NIST
Inp	1253.00		NIST
Inp	1295.00		NIST
Inp	Outlier 1309.00		NIST
Inp	1290.00		NIST
Inp	1291.00		NIST
Inp	1252.00		NIST
Inp	1272.00		NIST
Inp	1279.00		NIST
Inp	1263.00		NIST
Inp	1244.00		NIST
Inp	1286.00		NIST
Inp	1246.00		NIST
Inp	1268.00		NIST
Inp	1269.00		NIST
Inp	1274.00		NIST
Inp	1254.00		NIST
Inp	1250.00		NIST
Inp	1257.00		NIST
Ip	[1759.00; 1818.00]
Ip	Outlier 1759.00		NIST
Ip	1814.00		NIST
Ip	1776.00		NIST
Ip	Outlier 1759.00		NIST
Ip	1817.00		NIST
Ip	1785.00		NIST
Ip	1818.00		NIST
Ip	1814.00		NIST
Ip	1817.00		NIST
Ip	1797.00		NIST
Ip	1793.00		NIST
Ip	1788.00		NIST
Ip	1776.00		NIST
Ip	1817.00		NIST
Ip	1797.00		NIST
Ip	1779.00		NIST
Ip	1783.00		NIST
Ip	1784.00		NIST
Ip	1790.00		NIST
Ip	1807.00		NIST
Ip	1807.00		NIST
Ip	1779.00		NIST
Ip	1793.00		NIST
Ip	1803.00		NIST
Ip	1803.00		NIST
Ip	1789.00		NIST
Ip	1773.00		NIST
Ip	1776.00		NIST
Ip	1780.00		NIST
Ip	1794.00		NIST
Ip	1808.00		NIST
Ip	1795.00		NIST
Ip	1789.00		NIST
Ip	1807.00		NIST
Ip	1807.00		NIST
Ip	1807.00		NIST
Ip	1781.00		NIST
Ip	1817.00		NIST
Tboil	508.11	K	Relay (1.0) Calculated Property
Tfus	220.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.83; 447.97]	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			-4.10100e+01
Coefficient B			9.14820e-01
Coefficient C			-5.39640e-04
Coefficient D			1.13800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.83	J/mol×K	273.00	Calculated Property
Cp,gas	220.13	J/mol×K	353.78	Calculated Property
Cp,gas	263.96	J/mol×K	434.56	Calculated Property
Cp,gas	302.69	J/mol×K	515.33	Calculated Property
Cp,gas	336.67	J/mol×K	596.11	Calculated Property
Cp,gas	366.26	J/mol×K	676.89	Calculated Property
Cp,gas	391.83	J/mol×K	757.67	Calculated Property
Cp,gas	413.73	J/mol×K	838.44	Calculated Property
Cp,gas	432.32	J/mol×K	919.22	Calculated Property
Cp,gas	447.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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