Chemical Properties of 1-Pentene, 3,4-dimethyl- (CAS 7385-78-6)

InChI

InChI=1S/C7H14/c1-5-7(4)6(2)3/h5-7H,1H2,2-4H3

InChI Key

WFHXQNMTMDKVJG-UHFFFAOYSA-N

Formula

C7H14

SMILES

C=CC(C)C(C)C

Molecular Weight¹

98.19

CAS

7385-78-6

Other Names

• (CH3)2CHCH(CH3)CH=CH2
• 3,4-Dimethyl-1-pentene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.2452		Relay (1.0) Calculated Property
ΔfG°	91.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-76.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.56	kJ/mol	Joback Calculated Property
ΔvapH°	33.90	kJ/mol	NIST
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-3.57		Relay (1.0) Calculated Property
logPoct/wat	2.465		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	2979.54	kPa	Joback Calculated Property
Inp	[634.00; 647.00]
Inp	641.30		NIST
Inp	634.60		NIST
Inp	635.00		NIST
Inp	644.20		NIST
Inp	646.40		NIST
Inp	637.20		NIST
Inp	639.50		NIST
Inp	642.00		NIST
Inp	642.00		NIST
Inp	636.80		NIST
Inp	Outlier 647.00		NIST
Inp	637.30		NIST
Inp	637.80		NIST
Inp	637.00		NIST
Inp	639.00		NIST
Inp	638.00		NIST
Inp	635.00		NIST
Inp	638.00		NIST
Inp	640.00		NIST
Inp	642.00		NIST
Inp	644.40		NIST
Inp	636.40		NIST
Inp	634.00		NIST
Inp	638.00		NIST
Inp	639.00		NIST
Inp	634.00		NIST
Inp	642.00		NIST
Inp	641.00		NIST
Inp	641.30		NIST
Inp	637.20		NIST
Inp	Outlier 647.00		NIST
Inp	638.00		NIST
Inp	639.00		NIST
Inp	636.40		NIST
Tboil	[353.93; 363.05]	K
Tboil	353.96 ± 0.20	K	NIST
Tboil	353.93 ± 0.30	K	NIST
Tboil	363.05	K	NIST
Tboil	353.95 ± 1.00	K	NIST
Tc	517.27	K	Relay (1.0) Calculated Property
Tfus	150.95	K	Relay (1.0) Calculated Property
Vc	0.381	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.54; 353.03]	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			-9.83000e+00
Coefficient B			6.60660e-01
Coefficient C			-3.86300e-04
Coefficient D			8.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.54	J/mol×K	273.00	Calculated Property
Cp,gas	179.47	J/mol×K	353.78	Calculated Property
Cp,gas	211.58	J/mol×K	434.56	Calculated Property
Cp,gas	240.15	J/mol×K	515.33	Calculated Property
Cp,gas	265.47	J/mol×K	596.11	Calculated Property
Cp,gas	287.82	J/mol×K	676.89	Calculated Property
Cp,gas	307.46	J/mol×K	757.67	Calculated Property
Cp,gas	324.70	J/mol×K	838.44	Calculated Property
Cp,gas	339.79	J/mol×K	919.22	Calculated Property
Cp,gas	353.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0179569; 0.0001953]	Pa×s	[136.89; 371.50]	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			-1.11791e+01
Coefficient B			9.80040e+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.			136.89
Temperature range, max.			371.50
η	0.0179569	Pa×s	136.89	Calculated Property
η	0.0057129	Pa×s	162.96	Calculated Property
η	0.0024926	Pa×s	189.03	Calculated Property
η	0.0013298	Pa×s	215.09	Calculated Property
η	0.0008126	Pa×s	241.16	Calculated Property
η	0.0005467	Pa×s	267.23	Calculated Property
η	0.0003946	Pa×s	293.30	Calculated Property
η	0.0003004	Pa×s	319.36	Calculated Property
η	0.0002383	Pa×s	345.43	Calculated Property
η	0.0001953	Pa×s	371.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[258.14; 378.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37935e+01
Coefficient B			-2.74141e+03
Coefficient C			-5.51640e+01
Temperature range, min.			258.14
Temperature range, max.			378.37
Pvap	1.33	kPa	258.14	Calculated Property
Pvap	3.07	kPa	271.50	Calculated Property
Pvap	6.41	kPa	284.86	Calculated Property
Pvap	12.36	kPa	298.22	Calculated Property
Pvap	22.24	kPa	311.58	Calculated Property
Pvap	37.77	kPa	324.93	Calculated Property
Pvap	61.01	kPa	338.29	Calculated Property
Pvap	94.37	kPa	351.65	Calculated Property
Pvap	140.59	kPa	365.01	Calculated Property
Pvap	202.67	kPa	378.37	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentene, 3,4-dimethyl-.

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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