Chemical Properties of 4-Heptanol, 3-methyl- (CAS 1838-73-9)

InChI

InChI=1S/C8H18O/c1-4-6-8(9)7(3)5-2/h7-9H,4-6H2,1-3H3

InChI Key

JMRDKKYZLXDPLN-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCC(O)C(C)CC

Molecular Weight¹

130.23

CAS

1838-73-9

Other Names

• (dl) 3-methyl-4-heptanol
• 3-Methyl-4-heptanol
• 3-methylheptan-4-ol
• 5-Methyl-4-heptanol

• 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	0.5867		Relay (1.0) Calculated Property
ΔfG°	-125.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-381.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.52	kJ/mol	Joback Calculated Property
ΔvapH°	62.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-1.77		Relay (1.0) Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2835.36	kPa	Joback Calculated Property
Inp	[997.00; 997.00]
Inp	997.00		NIST
Inp	997.00		NIST
Tboil	[433.00; 443.15]	K
Tboil	443.15 ± 5.00	K	NIST
Tboil	437.85 ± 1.00	K	NIST
Tboil	433.00 ± 6.00	K	NIST
Tc	619.32	K	Relay (1.0) Calculated Property
Tfus	222.47	K	Relay (1.0) Calculated Property
Vc	0.473	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.06; 451.80]	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			-2.45700e+00
Coefficient B			8.09660e-01
Coefficient C			-4.48200e-04
Coefficient D			9.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.06	J/mol×K	273.00	Calculated Property
Cp,gas	232.00	J/mol×K	353.78	Calculated Property
Cp,gas	272.36	J/mol×K	434.56	Calculated Property
Cp,gas	308.46	J/mol×K	515.33	Calculated Property
Cp,gas	340.58	J/mol×K	596.11	Calculated Property
Cp,gas	369.02	J/mol×K	676.89	Calculated Property
Cp,gas	394.07	J/mol×K	757.67	Calculated Property
Cp,gas	416.02	J/mol×K	838.44	Calculated Property
Cp,gas	435.16	J/mol×K	919.22	Calculated Property
Cp,gas	451.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.3001577; 0.0002271]	Pa×s	[210.74; 448.14]	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			-1.47697e+01
Coefficient B			2.85895e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			210.74
Temperature range, max.			448.14
η	0.3001577	Pa×s	210.74	Calculated Property
η	0.0663636	Pa×s	237.12	Calculated Property
η	0.0198489	Pa×s	263.50	Calculated Property
η	0.0073951	Pa×s	289.87	Calculated Property
η	0.0032485	Pa×s	316.25	Calculated Property
η	0.0016197	Pa×s	342.63	Calculated Property
η	0.0008920	Pa×s	369.01	Calculated Property
η	0.0005320	Pa×s	395.39	Calculated Property
η	0.0003385	Pa×s	421.76	Calculated Property
η	0.0002271	Pa×s	448.14	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[327.50; 469.73]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68299e+01
Coefficient B			-5.39438e+03
Coefficient C			-1.40600e+00
Temperature range, min.			327.50
Temperature range, max.			469.73
Pvap	1.33	kPa	327.50	Calculated Property
Pvap	2.86	kPa	343.30	Calculated Property
Pvap	5.75	kPa	359.11	Calculated Property
Pvap	10.88	kPa	374.91	Calculated Property
Pvap	19.56	kPa	390.71	Calculated Property
Pvap	33.58	kPa	406.52	Calculated Property
Pvap	55.37	kPa	422.32	Calculated Property
Pvap	88.04	kPa	438.12	Calculated Property
Pvap	135.52	kPa	453.93	Calculated Property
Pvap	202.63	kPa	469.73	Calculated Property

Similar Compounds

Find more compounds similar to 4-Heptanol, 3-methyl-.

Sources

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

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