Chemical Properties of Cyclohexene, 1,4,5-trimethyl- (CAS 20030-32-4)

InChI

InChI=1S/C9H16/c1-7-4-5-8(2)9(3)6-7/h4,8-9H,5-6H2,1-3H3

InChI Key

FNZUANSNHGITHR-UHFFFAOYSA-N

Formula

C9H16

SMILES

CC1=CCC(C)C(C)C1

Molecular Weight¹

124.22

CAS

20030-32-4

Other Names

• 1,4,5-trimethylcyclohexene

• 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.
• 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°	61.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-148.80	kJ/mol	Joback Calculated Property
ΔfusH°	12.80	kJ/mol	Joback Calculated Property
ΔvapH°	36.70	kJ/mol	Joback Calculated Property
log10WS	-2.85		Crippen Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Pc	2802.44	kPa	Joback Calculated Property
Inp	[908.00; 908.00]
Inp	908.00		NIST
Inp	908.00		NIST
Inp	908.00		NIST
Tboil	418.00 ± 5.00	K	NIST
Tc	626.38	K	Joback Calculated Property
Tfus	207.61	K	Joback Calculated Property
Vc	0.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.33; 335.03]	J/mol×K	[424.34; 626.38]
Cp,gas	243.33	J/mol×K	424.34	Joback Calculated Property
Cp,gas	260.46	J/mol×K	458.01	Joback Calculated Property
Cp,gas	276.84	J/mol×K	491.69	Joback Calculated Property
Cp,gas	292.47	J/mol×K	525.36	Joback Calculated Property
Cp,gas	307.37	J/mol×K	559.03	Joback Calculated Property
Cp,gas	321.55	J/mol×K	592.70	Joback Calculated Property
Cp,gas	335.03	J/mol×K	626.38	Joback Calculated Property
η	[0.0002413; 0.0021413]	Pa×s	[207.61; 424.34]
η	0.0021413	Pa×s	207.61	Joback Calculated Property
η	0.0011365	Pa×s	243.73	Joback Calculated Property
η	0.0007103	Pa×s	279.85	Joback Calculated Property
η	0.0004943	Pa×s	315.98	Joback Calculated Property
η	0.0003706	Pa×s	352.10	Joback Calculated Property
η	0.0002931	Pa×s	388.22	Joback Calculated Property
η	0.0002413	Pa×s	424.34	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[307.72; 445.36]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44487e+01
Coefficient B			-3.54486e+03
Coefficient C			-5.73960e+01
Temperature range, min.			307.72
Temperature range, max.			445.36
Pvap	1.33	kPa	307.72	Calculated Property
Pvap	3.01	kPa	323.01	Calculated Property
Pvap	6.23	kPa	338.31	Calculated Property
Pvap	11.95	kPa	353.60	Calculated Property
Pvap	21.51	kPa	368.89	Calculated Property
Pvap	36.64	kPa	384.19	Calculated Property
Pvap	59.51	kPa	399.48	Calculated Property
Pvap	92.72	kPa	414.77	Calculated Property
Pvap	139.30	kPa	430.07	Calculated Property
Pvap	202.67	kPa	445.36	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 1,4,5-trimethyl-.

Sources

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

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