Chemical Properties of Cyclohexane, 1-methylene-4-(1-methylethenyl)- (CAS 499-97-8)

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h10H,1,3-7H2,2H3

InChI Key

GOQRXDTWKVYHJH-UHFFFAOYSA-N

Formula

C10H16

SMILES

C=C1CCC(C(=C)C)CC1

Molecular Weight¹

136.23

CAS

499-97-8

Other Names

• p-Mentha-1(7),8-diene
• «psi»-Limonene
• Pseudolimonen
• Pseudolimonene
• 1(7), 8-p-Menthadiene
• Mentha-1,7(8)-diene
• 1-methylene-4-(1-methylvinyl)cyclohexane

• 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°	9.74	kJ/mol	Joback Calculated Property
ΔvapH°	48.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	3.309		Crippen Calculated Property
McVol	132.300	ml/mol	McGowan Calculated Property
Inp	[977.00; 1020.00]
Inp	1003.00		NIST
Inp	1007.00		NIST
Inp	1005.00		NIST
Inp	1004.00		NIST
Inp	992.00		NIST
Inp	993.00		NIST
Inp	1006.00		NIST
Inp	1012.00		NIST
Inp	1007.00		NIST
Inp	1004.00		NIST
Inp	1004.00		NIST
Inp	990.00		NIST
Inp	999.00		NIST
Inp	Outlier 977.00		NIST
Inp	1004.00		NIST
Inp	1003.00		NIST
Inp	1004.00		NIST
Inp	1003.00		NIST
Inp	999.00		NIST
Inp	997.00		NIST
Inp	1018.00		NIST
Inp	996.00		NIST
Inp	1010.00		NIST
Inp	Outlier 1020.00		NIST
Inp	1010.00		NIST
Inp	1003.00		NIST
Ip	[1137.00; 1183.00]
Ip	1158.00		NIST
Ip	Outlier 1137.00		NIST
Ip	1172.00		NIST
Ip	1183.00		NIST
Ip	1183.00		NIST
Ip	1183.00		NIST
Ip	1183.00		NIST
Ip	1183.00		NIST
Ip	1183.00		NIST
Ip	1183.00		NIST
Ip	Outlier 1137.00		NIST
Ip	1183.00		NIST
Tboil	449.34	K	Relay (1.0) Calculated Property
Tfus	204.47	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	[166.35; 459.62]	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			-5.22000e+01
Coefficient B			9.38320e-01
Coefficient C			-5.34000e-04
Coefficient D			1.07500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.35	J/mol×K	273.00	Calculated Property
Cp,gas	217.68	J/mol×K	353.78	Calculated Property
Cp,gas	263.53	J/mol×K	434.56	Calculated Property
Cp,gas	304.25	J/mol×K	515.33	Calculated Property
Cp,gas	340.16	J/mol×K	596.11	Calculated Property
Cp,gas	371.61	J/mol×K	676.89	Calculated Property
Cp,gas	398.94	J/mol×K	757.67	Calculated Property
Cp,gas	422.50	J/mol×K	838.44	Calculated Property
Cp,gas	442.61	J/mol×K	919.22	Calculated Property
Cp,gas	459.62	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1-methylene-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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