Chemical Properties of 1-Heptanol, 4-methyl- (CAS 817-91-4)

InChI

InChI=1S/C8H18O/c1-3-5-8(2)6-4-7-9/h8-9H,3-7H2,1-2H3

InChI Key

LLUQZGDMUIMPTC-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCC(C)CCCO

Molecular Weight¹

130.23

CAS

817-91-4

Other Names

• 4-Methyl-1-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 : 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°	-122.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-365.96	kJ/mol	Joback Calculated Property
ΔfusH°	17.04	kJ/mol	Joback Calculated Property
ΔvapH°	49.69	kJ/mol	Joback Calculated Property
log10WS	-2.19		Crippen Calculated Property
logPoct/wat	2.195		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
I	1973.00		NIST
Tboil	[455.15; 463.65]	K
Tboil	455.85 ± 0.50	K	NIST
Tboil	455.15 ± 3.00	K	NIST
Tboil	463.65 ± 5.00	K	NIST
Tc	637.10	K	Joback Calculated Property
Tfus	225.74	K	Joback Calculated Property
Vc	0.496	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.23; 354.79]	J/mol×K	[474.18; 637.10]
Cp,gas	290.23	J/mol×K	474.18	Joback Calculated Property
Cp,gas	302.08	J/mol×K	501.33	Joback Calculated Property
Cp,gas	313.47	J/mol×K	528.49	Joback Calculated Property
Cp,gas	324.43	J/mol×K	555.64	Joback Calculated Property
Cp,gas	334.96	J/mol×K	582.79	Joback Calculated Property
Cp,gas	345.08	J/mol×K	609.94	Joback Calculated Property
Cp,gas	354.79	J/mol×K	637.10	Joback Calculated Property
η	[0.0001689; 0.1178389]	Pa×s	[225.74; 474.18]
η	0.1178389	Pa×s	225.74	Joback Calculated Property
η	0.0169844	Pa×s	267.15	Joback Calculated Property
η	0.0041171	Pa×s	308.55	Joback Calculated Property
η	0.0013956	Pa×s	349.96	Joback Calculated Property
η	0.0005948	Pa×s	391.37	Joback Calculated Property
η	0.0002984	Pa×s	432.77	Joback Calculated Property
η	0.0001689	Pa×s	474.18	Joback Calculated Property
ΔvapH	[55.90; 56.70]	kJ/mol	[405.00; 406.50]
ΔvapH	56.70	kJ/mol	405.00	NIST
ΔvapH	55.90	kJ/mol	406.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[345.66; 481.04]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.70449e+01
Coefficient B			-5.29832e+03
Coefficient C			-2.94790e+01
Temperature range, min.			345.66
Temperature range, max.			481.04
Pvap	1.33	kPa	345.66	Calculated Property
Pvap	2.85	kPa	360.70	Calculated Property
Pvap	5.72	kPa	375.74	Calculated Property
Pvap	10.81	kPa	390.79	Calculated Property
Pvap	19.43	kPa	405.83	Calculated Property
Pvap	33.37	kPa	420.87	Calculated Property
Pvap	55.08	kPa	435.91	Calculated Property
Pvap	87.71	kPa	450.96	Calculated Property
Pvap	135.26	kPa	466.00	Calculated Property
Pvap	202.66	kPa	481.04	Calculated Property

Similar Compounds

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

Sources

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

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