Chemical Properties of 1-Heptene, 4-methyl- (CAS 13151-05-8)

InChI

InChI=1S/C8H16/c1-4-6-8(3)7-5-2/h4,8H,1,5-7H2,2-3H3

InChI Key

BFGOGLKYJXQPJZ-UHFFFAOYSA-N

Formula

C8H16

SMILES

C=CCC(C)CCC

Molecular Weight¹

112.21

CAS

13151-05-8

Other Names

• 4-METHYL-1-HEPTENE
• 4-METHYLHEPT-1-ENE

• 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°	101.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-88.30	kJ/mol	Joback Calculated Property
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
ΔvapH°	38.90	kJ/mol	NIST
log10WS	-2.78		Crippen Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2668.02	kPa	Joback Calculated Property
Inp	[746.00; 755.10]
Inp	755.10		NIST
Inp	747.50		NIST
Inp	746.00		NIST
Inp	747.00		NIST
Inp	748.00		NIST
Inp	748.00		NIST
Inp	755.00		NIST
Inp	755.00		NIST
Inp	755.10		NIST
Inp	748.00		NIST
Inp	755.00		NIST
Tboil	[385.65; 386.65]	K
Tboil	385.65 ± 2.00	K	NIST
Tboil	386.65 ± 1.00	K	NIST
Tboil	385.95 ± 0.50	K	NIST
Tc	549.32	K	Joback Calculated Property
Tfus	163.16	K	Joback Calculated Property
Vc	0.459	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.60; 287.50]	J/mol×K	[378.68; 549.32]
Cp,gas	217.60	J/mol×K	378.68	Joback Calculated Property
Cp,gas	230.47	J/mol×K	407.12	Joback Calculated Property
Cp,gas	242.84	J/mol×K	435.56	Joback Calculated Property
Cp,gas	254.71	J/mol×K	464.00	Joback Calculated Property
Cp,gas	266.10	J/mol×K	492.44	Joback Calculated Property
Cp,gas	277.03	J/mol×K	520.88	Joback Calculated Property
Cp,gas	287.50	J/mol×K	549.32	Joback Calculated Property
η	[0.0002308; 0.0085772]	Pa×s	[163.16; 378.68]
η	0.0085772	Pa×s	163.16	Joback Calculated Property
η	0.0027265	Pa×s	199.08	Joback Calculated Property
η	0.0012304	Pa×s	235.00	Joback Calculated Property
η	0.0006856	Pa×s	270.92	Joback Calculated Property
η	0.0004381	Pa×s	306.84	Joback Calculated Property
η	0.0003075	Pa×s	342.76	Joback Calculated Property
η	0.0002308	Pa×s	378.68	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[281.59; 411.70]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42161e+01
Coefficient B			-3.21200e+03
Coefficient C			-5.09870e+01
Temperature range, min.			281.59
Temperature range, max.			411.70
Pvap	1.33	kPa	281.59	Calculated Property
Pvap	3.03	kPa	296.05	Calculated Property
Pvap	6.29	kPa	310.50	Calculated Property
Pvap	12.09	kPa	324.96	Calculated Property
Pvap	21.76	kPa	339.42	Calculated Property
Pvap	37.02	kPa	353.87	Calculated Property
Pvap	60.01	kPa	368.33	Calculated Property
Pvap	93.27	kPa	382.79	Calculated Property
Pvap	139.73	kPa	397.24	Calculated Property
Pvap	202.65	kPa	411.70	Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptene, 4-methyl-.

Sources

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

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