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

• 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).
• 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°	-125.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-371.24	kJ/mol	Joback Calculated Property
ΔfusH°	13.52	kJ/mol	Joback Calculated Property
ΔvapH°	49.31	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen 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	639.93	K	Joback Calculated Property
Tfus	210.74	K	Joback Calculated Property
Vc	0.490	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.39; 356.45]	J/mol×K	[473.74; 639.93]
Cp,gas	290.39	J/mol×K	473.74	Joback Calculated Property
Cp,gas	302.54	J/mol×K	501.44	Joback Calculated Property
Cp,gas	314.22	J/mol×K	529.14	Joback Calculated Property
Cp,gas	325.44	J/mol×K	556.84	Joback Calculated Property
Cp,gas	336.21	J/mol×K	584.53	Joback Calculated Property
Cp,gas	346.54	J/mol×K	612.23	Joback Calculated Property
Cp,gas	356.45	J/mol×K	639.93	Joback Calculated Property
η	[0.0001609; 0.3001577]	Pa×s	[210.74; 473.74]
η	0.3001577	Pa×s	210.74	Joback Calculated Property
η	0.0290327	Pa×s	254.57	Joback Calculated Property
η	0.0055777	Pa×s	298.41	Joback Calculated Property
η	0.0016351	Pa×s	342.24	Joback Calculated Property
η	0.0006333	Pa×s	386.07	Joback Calculated Property
η	0.0002977	Pa×s	429.91	Joback Calculated Property
η	0.0001609	Pa×s	473.74	Joback Calculated Property
ΔvapH	48.00	kJ/mol	389.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[327.50; 469.73]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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