Chemical Properties of 1,4-Pentadiene, 3-methyl- (CAS 1115-08-8)

InChI

InChI=1S/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3

InChI Key

IKQUUYYDRTYXAP-UHFFFAOYSA-N

Formula

C6H10

SMILES

C=CC(C)C=C

Molecular Weight¹

82.14

CAS

1115-08-8

Other Names

• 3-Methyl-1,4-pentadiene
• 3-methylpenta-1,4-diene
• CH2=CHCH(CH3)CH=CH2

• ω : Acentric Factor.
• 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).
• 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
ω	0.1711		Relay (1.0) Calculated Property
ΔfG°	172.88	kJ/mol	Joback Calculated Property
ΔfH°gas	56.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.21	kJ/mol	Joback Calculated Property
ΔvapH°	29.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.40 ± 0.05	eV	NIST
log10WS	-2.75		Relay (1.0) Calculated Property
logPoct/wat	1.994		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Pc	3452.08	kPa	Joback Calculated Property
Inp	[531.00; 546.00]
Inp	531.00		NIST
Inp	532.00		NIST
Inp	534.00		NIST
Inp	534.00		NIST
Inp	532.00		NIST
Inp	Outlier 546.00		NIST
Inp	532.00		NIST
Tboil	[322.77; 329.20]	K
Tboil	329.20	K	NIST
Tboil	322.77 ± 0.50	K	NIST
Tc	472.41	K	Relay (1.0) Calculated Property
Tfus	140.73	K	Relay (1.0) Calculated Property
Vc	0.323	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.83; 272.39]	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			-1.02300e+01
Coefficient B			5.39720e-01
Coefficient C			-3.51600e-04
Coefficient D			9.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.83	J/mol×K	273.00	Calculated Property
Cp,gas	140.89	J/mol×K	353.78	Calculated Property
Cp,gas	165.67	J/mol×K	434.56	Calculated Property
Cp,gas	187.46	J/mol×K	515.33	Calculated Property
Cp,gas	206.58	J/mol×K	596.11	Calculated Property
Cp,gas	223.31	J/mol×K	676.89	Calculated Property
Cp,gas	237.96	J/mol×K	757.67	Calculated Property
Cp,gas	250.82	J/mol×K	838.44	Calculated Property
Cp,gas	262.20	J/mol×K	919.22	Calculated Property
Cp,gas	272.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052504; 0.0001717]	Pa×s	[138.86; 353.04]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.08875e+01
Coefficient B			7.82900e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			138.86
Temperature range, max.			353.04
η	0.0052504	Pa×s	138.86	Calculated Property
η	0.0023012	Pa×s	162.66	Calculated Property
η	0.0012449	Pa×s	186.46	Calculated Property
η	0.0007740	Pa×s	210.25	Calculated Property
η	0.0005301	Pa×s	234.05	Calculated Property
η	0.0003893	Pa×s	257.85	Calculated Property
η	0.0003012	Pa×s	281.65	Calculated Property
η	0.0002425	Pa×s	305.45	Calculated Property
η	0.0002015	Pa×s	329.25	Calculated Property
η	0.0001717	Pa×s	353.04	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[238.48; 352.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38731e+01
Coefficient B			-2.63391e+03
Coefficient C			-4.46000e+01
Temperature range, min.			238.48
Temperature range, max.			352.24
Pvap	1.33	kPa	238.48	Calculated Property
Pvap	3.06	kPa	251.12	Calculated Property
Pvap	6.39	kPa	263.76	Calculated Property
Pvap	12.31	kPa	276.40	Calculated Property
Pvap	22.15	kPa	289.04	Calculated Property
Pvap	37.62	kPa	301.68	Calculated Property
Pvap	60.81	kPa	314.32	Calculated Property
Pvap	94.15	kPa	326.96	Calculated Property
Pvap	140.42	kPa	339.60	Calculated Property
Pvap	202.64	kPa	352.24	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Pentadiene, 3-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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