Chemical Properties of 1-Methyl-1,3-cyclohexadiene (CAS 1489-56-1)

InChI

InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3

InChI Key

QMFJIJFIHIDENY-UHFFFAOYSA-N

Formula

C7H10

SMILES

CC1=CC=CCC1

Molecular Weight¹

94.15

CAS

1489-56-1

Other Names

• 1,3-Cyclohexadiene, 1-methyl-
• 2,3-dihydrotoluene

• 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°	90.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-9.06	kJ/mol	Joback Calculated Property
ΔfusH°	6.71	kJ/mol	Joback Calculated Property
ΔvapH°	33.16	kJ/mol	Joback Calculated Property
log10WS	-2.35		Crippen Calculated Property
logPoct/wat	2.283		Crippen Calculated Property
McVol	90.030	ml/mol	McGowan Calculated Property
Pc	3930.78	kPa	Joback Calculated Property
Inp	[771.00; 791.00]
Inp	771.00		NIST
Inp	791.00		NIST
Inp	771.00		NIST
Inp	771.00		NIST
Inp	791.00		NIST
Tboil	371.20 ± 1.00	K	NIST
Tc	596.32	K	Joback Calculated Property
Tfus	194.31	K	Joback Calculated Property
Vc	0.334	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[150.21; 217.25]	J/mol×K	[387.08; 596.32]
Cp,gas	150.21	J/mol×K	387.08	Joback Calculated Property
Cp,gas	163.02	J/mol×K	421.95	Joback Calculated Property
Cp,gas	175.15	J/mol×K	456.83	Joback Calculated Property
Cp,gas	186.61	J/mol×K	491.70	Joback Calculated Property
Cp,gas	197.43	J/mol×K	526.57	Joback Calculated Property
Cp,gas	207.64	J/mol×K	561.45	Joback Calculated Property
Cp,gas	217.25	J/mol×K	596.32	Joback Calculated Property
η	[0.0002418; 0.0040402]	Pa×s	[194.31; 387.08]
η	0.0040402	Pa×s	194.31	Joback Calculated Property
η	0.0018112	Pa×s	226.44	Joback Calculated Property
η	0.0009911	Pa×s	258.57	Joback Calculated Property
η	0.0006197	Pa×s	290.69	Joback Calculated Property
η	0.0004254	Pa×s	322.82	Joback Calculated Property
η	0.0003126	Pa×s	354.95	Joback Calculated Property
η	0.0002418	Pa×s	387.08	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[270.26; 396.37]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43111e+01
Coefficient B			-3.16813e+03
Coefficient C			-4.43440e+01
Temperature range, min.			270.26
Temperature range, max.			396.37
Pvap	1.33	kPa	270.26	Calculated Property
Pvap	3.02	kPa	284.27	Calculated Property
Pvap	6.27	kPa	298.28	Calculated Property
Pvap	12.03	kPa	312.30	Calculated Property
Pvap	21.65	kPa	326.31	Calculated Property
Pvap	36.86	kPa	340.32	Calculated Property
Pvap	59.80	kPa	354.33	Calculated Property
Pvap	93.03	kPa	368.35	Calculated Property
Pvap	139.53	kPa	382.36	Calculated Property
Pvap	202.62	kPa	396.37	Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-1,3-cyclohexadiene.

Sources

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

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