Chemical Properties of Heptane, 4-propyl- (CAS 3178-29-8)

InChI

InChI=1S/C10H22/c1-4-7-10(8-5-2)9-6-3/h10H,4-9H2,1-3H3

InChI Key

ABYGSZMCWVXFCQ-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCC(CCC)CCC

Molecular Weight¹

142.28

CAS

3178-29-8

Other Names

• 4-Propylheptane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• 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_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• 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).
• n₀ : Refractive Index.
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4440		KDB
AP	349.150	K	KDB
ΔfG°	30.88	kJ/mol	Joback Calculated Property
Δc,grossH	6778.75	kJ/mol	KDB
Δc,netH	6294.661	kJ/mol	KDB
ΔfH°gas	-255.01	kJ/mol	Joback Calculated Property
ΔfusH°	18.13	kJ/mol	Joback Calculated Property
ΔvapH°	48.50	kJ/mol	NIST
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2180.00	kPa	KDB
Inp	[906.00; 946.20]
Inp	946.20		NIST
Inp	946.20		NIST
Inp	907.70		NIST
Inp	940.00		NIST
Inp	906.00		NIST
Inp	945.00		NIST
Inp	945.00		NIST
Inp	945.00		NIST
Inp	906.00		NIST
Inp	945.00		NIST
Tboil	[430.00; 435.00]	K
Tboil	430.70	K	KDB
Tboil	430.00 ± 4.00	K	NIST
Tboil	435.00 ± 6.00	K	NIST
Tboil	435.00 ± 0.60	K	NIST
Tc	601.00	K	KDB
Tfus	219.00	K	KDB
Vc	0.545	m3/kmol	KDB
Zc	0.2377620		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.29; 399.91]	J/mol×K	[427.76; 593.73]
Cp,gas	315.29	J/mol×K	427.76	Joback Calculated Property
Cp,gas	330.79	J/mol×K	455.42	Joback Calculated Property
Cp,gas	345.71	J/mol×K	483.08	Joback Calculated Property
Cp,gas	360.07	J/mol×K	510.75	Joback Calculated Property
Cp,gas	373.88	J/mol×K	538.41	Joback Calculated Property
Cp,gas	387.16	J/mol×K	566.07	Joback Calculated Property
Cp,gas	399.91	J/mol×K	593.73	Joback Calculated Property
η	[0.0002265; 0.0108083]	Pa×s	[187.46; 427.76]
η	0.0108083	Pa×s	187.46	Joback Calculated Property
η	0.0032190	Pa×s	227.51	Joback Calculated Property
η	0.0013777	Pa×s	267.56	Joback Calculated Property
η	0.0007355	Pa×s	307.61	Joback Calculated Property
η	0.0004537	Pa×s	347.66	Joback Calculated Property
η	0.0003093	Pa×s	387.71	Joback Calculated Property
η	0.0002265	Pa×s	427.76	Joback Calculated Property
ΔvapH	[38.12; 44.10]	kJ/mol	[380.50; 430.70]
ΔvapH	44.10	kJ/mol	380.50	NIST
ΔvapH	38.12	kJ/mol	430.70	KDB
n0	1.41130		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[317.22; 458.97]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42938e+01
Coefficient B			-3.54982e+03
Coefficient C			-6.37720e+01
Temperature range, min.			317.22
Temperature range, max.			458.97
Pvap	1.33	kPa	317.22	Calculated Property
Pvap	3.03	kPa	332.97	Calculated Property
Pvap	6.27	kPa	348.72	Calculated Property
Pvap	12.04	kPa	364.47	Calculated Property
Pvap	21.67	kPa	380.22	Calculated Property
Pvap	36.89	kPa	395.97	Calculated Property
Pvap	59.84	kPa	411.72	Calculated Property
Pvap	93.08	kPa	427.47	Calculated Property
Pvap	139.57	kPa	443.22	Calculated Property
Pvap	202.64	kPa	458.97	Calculated Property
Pvap	[1.33; 2176.49]	kPa	[317.15; 601.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.06242e+02
Coefficient B			-9.34666e+03
Coefficient C			-1.34186e+01
Coefficient D			7.90603e-06
Temperature range, min.			317.15
Temperature range, max.			601.00
Pvap	1.33	kPa	317.15	Calculated Property
Pvap	6.32	kPa	348.69	Calculated Property
Pvap	21.90	kPa	380.23	Calculated Property
Pvap	60.18	kPa	411.77	Calculated Property
Pvap	139.09	kPa	443.31	Calculated Property
Pvap	282.08	kPa	474.84	Calculated Property
Pvap	517.96	kPa	506.38	Calculated Property
Pvap	881.59	kPa	537.92	Calculated Property
Pvap	1416.04	kPa	569.46	Calculated Property
Pvap	2176.49	kPa	601.00	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 4-propyl-.

Sources

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

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