Chemical Properties of Cyclohexene,1-(2-methylpropyl)- (CAS 3983-03-7)

InChI

InChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h6,9H,3-5,7-8H2,1-2H3

InChI Key

NQIVPQHOBXSALG-UHFFFAOYSA-N

Formula

C10H18

SMILES

CC(C)CC1=CCCCC1

Molecular Weight¹

138.25

CAS

3983-03-7

Other Names

• 1-Isobutylcyclohexene-1
• 1-Isobutyl-1-cyclohexene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ΔfH°gas	-112.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.73	kJ/mol	Joback Calculated Property
ΔvapH°	47.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.40 ± 0.01	eV	NIST
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	3.533		Crippen Calculated Property
McVol	136.600	ml/mol	McGowan Calculated Property
Pc	2738.28	kPa	Joback Calculated Property
Inp	[1000.90; 1040.00]
Inp	1001.00		NIST
Inp	1005.00		NIST
Inp	1031.00		NIST
Inp	Outlier 1040.00		NIST
Inp	1000.90		NIST
Inp	1000.90		NIST
Inp	1003.00		NIST
Inp	1001.00		NIST
Inp	1000.90		NIST
Inp	1003.00		NIST
Ip	[1118.00; 1159.00]
Ip	1129.00		NIST
Ip	1140.00		NIST
Ip	1144.00		NIST
Ip	Outlier 1159.00		NIST
Ip	1118.00		NIST
Ip	1129.00		NIST
Ip	1141.40		NIST
Ip	1119.80		NIST
Ip	1130.80		NIST
Ip	1129.00		NIST
Tboil	447.39	K	Relay (1.0) Calculated Property
Tc	645.39	K	Relay (1.0) Calculated Property
Tfus	182.74	K	Relay (1.0) Calculated Property
Vc	0.498	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[173.00; 479.85]	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			-5.73490e+01
Coefficient B			9.92840e-01
Coefficient C			-5.80040e-04
Coefficient D			1.24400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.00	J/mol×K	273.00	Calculated Property
Cp,gas	226.81	J/mol×K	353.78	Calculated Property
Cp,gas	274.77	J/mol×K	434.56	Calculated Property
Cp,gas	317.28	J/mol×K	515.33	Calculated Property
Cp,gas	354.73	J/mol×K	596.11	Calculated Property
Cp,gas	387.51	J/mol×K	676.89	Calculated Property
Cp,gas	416.02	J/mol×K	757.67	Calculated Property
Cp,gas	440.65	J/mol×K	838.44	Calculated Property
Cp,gas	461.80	J/mol×K	919.22	Calculated Property
Cp,gas	479.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0103400; 0.0002173]	Pa×s	[212.36; 463.13]	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			-1.17049e+01
Coefficient B			1.51480e+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.			212.36
Temperature range, max.			463.13
η	0.0103400	Pa×s	212.36	Calculated Property
η	0.0045207	Pa×s	240.22	Calculated Property
η	0.0023473	Pa×s	268.09	Calculated Property
η	0.0013789	Pa×s	295.95	Calculated Property
η	0.0008877	Pa×s	323.81	Calculated Property
η	0.0006128	Pa×s	351.67	Calculated Property
η	0.0004467	Pa×s	379.54	Calculated Property
η	0.0003400	Pa×s	407.40	Calculated Property
η	0.0002680	Pa×s	435.26	Calculated Property
η	0.0002173	Pa×s	463.13	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene,1-(2-methylpropyl)-.

Sources

• Cheméo Relay (1.0)
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.