Chemical Properties of Cyclohexene, 1,4-dimethyl- (CAS 2808-79-9)

InChI

InChI=1S/C8H14/c1-7-3-5-8(2)6-4-7/h3,8H,4-6H2,1-2H3

InChI Key

KMGDYKOGDOVDCW-UHFFFAOYSA-N

Formula

C8H14

SMILES

CC1=CCC(C)CC1

Molecular Weight¹

110.20

CAS

2808-79-9

Other Names

• 1,4-Dimethyl-1-cyclohexene
• 1,4-Dimethylcyclohexene

• 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).
• P_vap : Vapor 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°	61.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-107.82	kJ/mol	Joback Calculated Property
ΔfusH°	9.14	kJ/mol	Joback Calculated Property
ΔvapH°	34.79	kJ/mol	Joback Calculated Property
log10WS	-2.68		Crippen Calculated Property
logPoct/wat	2.753		Crippen Calculated Property
McVol	108.420	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Inp	[825.00; 836.00]
Inp	Outlier 836.00		NIST
Inp	825.00		NIST
Inp	827.00		NIST
Inp	826.70		NIST
Inp	825.00		NIST
Inp	825.00		NIST
Inp	825.00		NIST
Inp	825.00		NIST
I	[946.00; 946.00]
I	946.00		NIST
I	946.00		NIST
Tboil	[398.00; 398.00]	K
Tboil	398.00 ± 3.00	K	NIST
Tboil	398.00 ± 3.00	K	NIST
Tc	610.71	K	Joback Calculated Property
Tfus	213.75 ± 0.50	K	NIST
Vc	0.403	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.81; 285.31]	J/mol×K	[406.13; 610.71]
Cp,gas	201.81	J/mol×K	406.13	Joback Calculated Property
Cp,gas	217.51	J/mol×K	440.23	Joback Calculated Property
Cp,gas	232.47	J/mol×K	474.32	Joback Calculated Property
Cp,gas	246.71	J/mol×K	508.42	Joback Calculated Property
Cp,gas	260.26	J/mol×K	542.51	Joback Calculated Property
Cp,gas	273.11	J/mol×K	576.61	Joback Calculated Property
Cp,gas	285.31	J/mol×K	610.71	Joback Calculated Property
η	[0.0002466; 0.0034105]	Pa×s	[200.58; 406.13]
η	0.0034105	Pa×s	200.58	Joback Calculated Property
η	0.0015996	Pa×s	234.84	Joback Calculated Property
η	0.0009098	Pa×s	269.10	Joback Calculated Property
η	0.0005878	Pa×s	303.36	Joback Calculated Property
η	0.0004149	Pa×s	337.61	Joback Calculated Property
η	0.0003123	Pa×s	371.87	Joback Calculated Property
η	0.0002466	Pa×s	406.13	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[291.68; 424.73]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41175e+01
Coefficient B			-3.22526e+03
Coefficient C			-5.84700e+01
Temperature range, min.			291.68
Temperature range, max.			424.73
Pvap	1.33	kPa	291.68	Calculated Property
Pvap	3.04	kPa	306.46	Calculated Property
Pvap	6.32	kPa	321.25	Calculated Property
Pvap	12.15	kPa	336.03	Calculated Property
Pvap	21.87	kPa	350.81	Calculated Property
Pvap	37.19	kPa	365.60	Calculated Property
Pvap	60.24	kPa	380.38	Calculated Property
Pvap	93.53	kPa	395.16	Calculated Property
Pvap	139.94	kPa	409.95	Calculated Property
Pvap	202.67	kPa	424.73	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 1,4-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.