Chemical Properties of 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl- (CAS 4045-44-7)

InChI

InChI=1S/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3

InChI Key

WQIQNKQYEUMPBM-UHFFFAOYSA-N

Formula

C10H16

SMILES

CC1=C(C)C(C)C(C)=C1C

Molecular Weight¹

136.23

CAS

4045-44-7

Other Names

• 1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene
• 1,2,3,4,5-Pentamethylcyclopentadiene
• Cyclopentadiene, 1,2,3,4,5-pentamethyl-
• Pentamethylcyclopentadiene

• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	91.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-25.00	kJ/mol	NIST
ΔfusH°	16.48	kJ/mol	Joback Calculated Property
ΔvapH°	41.34	kJ/mol	Joback Calculated Property
IE	[7.17; 7.35]	eV
IE	7.17	eV	NIST
IE	7.35	eV	NIST
log10WS	-3.37		Crippen Calculated Property
logPoct/wat	3.309		Crippen Calculated Property
McVol	132.300	ml/mol	McGowan Calculated Property
Pc	2535.37	kPa	Joback Calculated Property
Tboil	461.72	K	Joback Calculated Property
Tc	660.14	K	Joback Calculated Property
Tfus	264.96	K	Joback Calculated Property
Vc	0.508	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.77; 353.54]	J/mol×K	[461.72; 660.14]
Cp,gas	275.77	J/mol×K	461.72	Joback Calculated Property
Cp,gas	290.17	J/mol×K	494.79	Joback Calculated Property
Cp,gas	303.98	J/mol×K	527.86	Joback Calculated Property
Cp,gas	317.21	J/mol×K	560.93	Joback Calculated Property
Cp,gas	329.87	J/mol×K	594.00	Joback Calculated Property
Cp,gas	341.98	J/mol×K	627.07	Joback Calculated Property
Cp,gas	353.54	J/mol×K	660.14	Joback Calculated Property
η	[0.0002427; 0.0008324]	Pa×s	[264.96; 461.72]
η	0.0008324	Pa×s	264.96	Joback Calculated Property
η	0.0006053	Pa×s	297.75	Joback Calculated Property
η	0.0004689	Pa×s	330.55	Joback Calculated Property
η	0.0003804	Pa×s	363.34	Joback Calculated Property
η	0.0003194	Pa×s	396.13	Joback Calculated Property
η	0.0002755	Pa×s	428.93	Joback Calculated Property
η	0.0002427	Pa×s	461.72	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[236.92; 540.02]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			8.68794e+00
Coefficient B			-1.71123e+03
Coefficient C			-3.32100e+01
Temperature range, min.			236.92
Temperature range, max.			540.02
Pvap	1.33	kPa	236.92	Calculated Property
Pvap	4.39	kPa	270.60	Calculated Property
Pvap	10.75	kPa	304.28	Calculated Property
Pvap	21.60	kPa	337.95	Calculated Property
Pvap	37.77	kPa	371.63	Calculated Property
Pvap	59.68	kPa	405.31	Calculated Property
Pvap	87.42	kPa	438.99	Calculated Property
Pvap	120.78	kPa	472.66	Calculated Property
Pvap	159.35	kPa	506.34	Calculated Property
Pvap	202.64	kPa	540.02	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-.

Sources

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

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